 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer03_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-23172.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23174.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.09D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.98D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               9.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:46 2021, MaxMem=  6442450944 cpu:              10.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.373301674884    
 DIIS: error= 3.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.373301674884     IErMin= 1 ErrMin= 3.63D-03
 ErrMax= 3.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-02 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.51D-02 MaxDP=7.78D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.69D-02    CP:  1.90D+00
 E= -656.391196941013     Delta-E=       -0.017895266129 Rises=F Damp=F
 DIIS: error= 7.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.391196941013     IErMin= 2 ErrMin= 7.17D-04
 ErrMax= 7.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-04 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.17D-03
 Coeff-Com: -0.196D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.195D-01 0.102D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.31D-02 MaxDP=1.56D+00 DE=-1.79D-02 OVMax= 7.94D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.37D-03    CP:  2.09D+00  1.19D+00
 E= -656.391620179672     Delta-E=       -0.000423238658 Rises=F Damp=F
 DIIS: error= 7.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391620179672     IErMin= 2 ErrMin= 7.17D-04
 ErrMax= 7.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-04 BMatP= 6.94D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.54D-03
 Coeff-Com: -0.460D-01 0.503D+00 0.543D+00
 Coeff-En:   0.000D+00 0.138D+00 0.862D+00
 Coeff:     -0.457D-01 0.500D+00 0.546D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=1.52D-01 DE=-4.23D-04 OVMax= 4.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.06D-04    CP:  2.11D+00  1.21D+00  1.10D+00
 E= -656.392004092290     Delta-E=       -0.000383912618 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.392004092290     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-05 BMatP= 5.85D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.856D-02 0.270D-01 0.125D+00 0.857D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.855D-02 0.270D-01 0.125D+00 0.857D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.22D-04 MaxDP=3.43D-02 DE=-3.84D-04 OVMax= 1.10D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.17D-04    CP:  2.11D+00  1.21D+00  1.16D+00  1.39D+00
 E= -656.392017143258     Delta-E=       -0.000013050968 Rises=F Damp=F
 DIIS: error= 5.85D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.392017143258     IErMin= 5 ErrMin= 5.85D-05
 ErrMax= 5.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-06 BMatP= 1.56D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-02-0.480D-01-0.920D-02 0.433D+00 0.623D+00
 Coeff:      0.140D-02-0.480D-01-0.920D-02 0.433D+00 0.623D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.21D-05 MaxDP=2.93D-03 DE=-1.31D-05 OVMax= 6.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.11D-05    CP:  2.11D+00  1.21D+00  1.18D+00  1.53D+00  1.26D+00
 E= -656.392021836895     Delta-E=       -0.000004693637 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.392021836895     IErMin= 6 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-07 BMatP= 5.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.216D-01-0.192D-01 0.724D-01 0.235D+00 0.732D+00
 Coeff:      0.150D-02-0.216D-01-0.192D-01 0.724D-01 0.235D+00 0.732D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.19D-05 MaxDP=3.03D-03 DE=-4.69D-06 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.73D-06    CP:  2.11D+00  1.21D+00  1.18D+00  1.56D+00  1.34D+00
                    CP:  1.30D+00
 E= -656.392022157909     Delta-E=       -0.000000321014 Rises=F Damp=F
 DIIS: error= 3.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.392022157909     IErMin= 7 ErrMin= 3.32D-06
 ErrMax= 3.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-08 BMatP= 3.53D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-03-0.125D-03-0.421D-02-0.303D-01-0.252D-02 0.203D+00
 Coeff-Com:  0.834D+00
 Coeff:      0.235D-03-0.125D-03-0.421D-02-0.303D-01-0.252D-02 0.203D+00
 Coeff:      0.834D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.61D-05 MaxDP=1.67D-03 DE=-3.21D-07 OVMax= 5.70D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.93D-06    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.33D+00  1.27D+00
 E= -656.392022192992     Delta-E=       -0.000000035084 Rises=F Damp=F
 DIIS: error= 9.49D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.392022192992     IErMin= 8 ErrMin= 9.49D-07
 ErrMax= 9.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 2.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.694D-04 0.169D-02 0.661D-03-0.129D-01-0.185D-01-0.253D-01
 Coeff-Com:  0.173D+00 0.881D+00
 Coeff:     -0.694D-04 0.169D-02 0.661D-03-0.129D-01-0.185D-01-0.253D-01
 Coeff:      0.173D+00 0.881D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.88D-06 MaxDP=6.24D-04 DE=-3.51D-08 OVMax= 1.88D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.30D+00  1.10D+00
 E= -656.392022195787     Delta-E=       -0.000000002795 Rises=F Damp=F
 DIIS: error= 3.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.392022195787     IErMin= 9 ErrMin= 3.56D-07
 ErrMax= 3.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.462D-04 0.669D-03 0.639D-03-0.265D-02-0.654D-02-0.285D-01
 Coeff-Com: -0.526D-02 0.337D+00 0.705D+00
 Coeff:     -0.462D-04 0.669D-03 0.639D-03-0.265D-02-0.654D-02-0.285D-01
 Coeff:     -0.526D-02 0.337D+00 0.705D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.82D-07 MaxDP=5.13D-05 DE=-2.80D-09 OVMax= 6.52D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.20D-07    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.32D+00  1.15D+00  1.03D+00
 E= -656.392022196553     Delta-E=       -0.000000000766 Rises=F Damp=F
 DIIS: error= 1.09D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.392022196553     IErMin=10 ErrMin= 1.09D-07
 ErrMax= 1.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-11 BMatP= 3.40D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.434D-05-0.329D-04 0.118D-03 0.977D-03 0.103D-02-0.544D-02
 Coeff-Com: -0.256D-01-0.228D-01 0.214D+00 0.838D+00
 Coeff:     -0.434D-05-0.329D-04 0.118D-03 0.977D-03 0.103D-02-0.544D-02
 Coeff:     -0.256D-01-0.228D-01 0.214D+00 0.838D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.49D-07 MaxDP=9.79D-05 DE=-7.66D-10 OVMax= 3.15D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.23D-07    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.32D+00  1.19D+00  1.06D+00  1.06D+00
 E= -656.392022196446     Delta-E=        0.000000000108 Rises=F Damp=F
 DIIS: error= 4.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.392022196553     IErMin=11 ErrMin= 4.90D-08
 ErrMax= 4.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-12 BMatP= 3.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-05-0.906D-04-0.348D-04 0.597D-03 0.125D-02 0.152D-02
 Coeff-Com: -0.679D-02-0.484D-01-0.207D-01 0.256D+00 0.816D+00
 Coeff:      0.405D-05-0.906D-04-0.348D-04 0.597D-03 0.125D-02 0.152D-02
 Coeff:     -0.679D-02-0.484D-01-0.207D-01 0.256D+00 0.816D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.93D-07 MaxDP=2.65D-05 DE= 1.08D-10 OVMax= 1.09D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.26D-08    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.33D+00  1.19D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00
 E= -656.392022196512     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.392022196553     IErMin=12 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-13 BMatP= 4.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-05-0.126D-04-0.209D-04-0.278D-04 0.160D-03 0.880D-03
 Coeff-Com:  0.222D-02-0.686D-02-0.312D-01-0.558D-01 0.158D+00 0.933D+00
 Coeff:      0.129D-05-0.126D-04-0.209D-04-0.278D-04 0.160D-03 0.880D-03
 Coeff:      0.222D-02-0.686D-02-0.312D-01-0.558D-01 0.158D+00 0.933D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.16D-08 MaxDP=4.73D-06 DE=-6.62D-11 OVMax= 6.05D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.40D-08    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.32D+00  1.19D+00  1.07D+00  1.16D+00
                    CP:  1.32D+00  1.26D+00
 E= -656.392022196390     Delta-E=        0.000000000122 Rises=F Damp=F
 DIIS: error= 8.80D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -656.392022196553     IErMin=13 ErrMin= 8.80D-09
 ErrMax= 8.80D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.09D-14 BMatP= 5.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.239D-06 0.913D-05-0.149D-06-0.885D-04-0.116D-03 0.379D-05
 Coeff-Com:  0.149D-02 0.458D-02-0.497D-02-0.478D-01-0.744D-01 0.222D+00
 Coeff-Com:  0.899D+00
 Coeff:     -0.239D-06 0.913D-05-0.149D-06-0.885D-04-0.116D-03 0.379D-05
 Coeff:      0.149D-02 0.458D-02-0.497D-02-0.478D-01-0.744D-01 0.222D+00
 Coeff:      0.899D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.15D-08 MaxDP=2.32D-06 DE= 1.22D-10 OVMax= 3.09D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.74D-09    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.32D+00  1.18D+00  1.07D+00  1.15D+00
                    CP:  1.36D+00  1.39D+00  1.29D+00
 E= -656.392022196565     Delta-E=       -0.000000000175 Rises=F Damp=F
 DIIS: error= 2.40D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -656.392022196565     IErMin=14 ErrMin= 2.40D-09
 ErrMax= 2.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-14 BMatP= 7.09D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.250D-06 0.450D-05 0.279D-05-0.249D-04-0.563D-04-0.108D-03
 Coeff-Com:  0.174D-03 0.226D-02 0.253D-02-0.690D-02-0.423D-01-0.552D-01
 Coeff-Com:  0.280D+00 0.819D+00
 Coeff:     -0.250D-06 0.450D-05 0.279D-05-0.249D-04-0.563D-04-0.108D-03
 Coeff:      0.174D-03 0.226D-02 0.253D-02-0.690D-02-0.423D-01-0.552D-01
 Coeff:      0.280D+00 0.819D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.47D-09 MaxDP=1.08D-06 DE=-1.75D-10 OVMax= 1.39D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.73D-09    CP:  2.11D+00  1.21D+00  1.18D+00  1.57D+00  1.36D+00
                    CP:  1.36D+00  1.32D+00  1.18D+00  1.07D+00  1.15D+00
                    CP:  1.36D+00  1.42D+00  1.44D+00  1.10D+00
 E= -656.392022196330     Delta-E=        0.000000000235 Rises=F Damp=F
 DIIS: error= 1.84D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -656.392022196565     IErMin=15 ErrMin= 1.84D-09
 ErrMax= 1.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-15 BMatP= 1.21D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-08-0.879D-06 0.587D-06 0.116D-04 0.102D-04-0.187D-04
 Coeff-Com: -0.246D-03-0.433D-03 0.144D-02 0.777D-02 0.585D-02-0.554D-01
 Coeff-Com: -0.111D+00 0.171D+00 0.981D+00
 Coeff:      0.228D-08-0.879D-06 0.587D-06 0.116D-04 0.102D-04-0.187D-04
 Coeff:     -0.246D-03-0.433D-03 0.144D-02 0.777D-02 0.585D-02-0.554D-01
 Coeff:     -0.111D+00 0.171D+00 0.981D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.18D-09 MaxDP=4.74D-07 DE= 2.35D-10 OVMax= 7.65D-08

 SCF Done:  E(RM11) =  -656.392022196     A.U. after   15 cycles
            NFock= 15  Conv=0.42D-08     -V/T= 2.0066
 KE= 6.520925705582D+02 PE=-3.472347157479D+03 EE= 1.190866340054D+03
 Leave Link  502 at Wed Sep  8 12:57:44 2021, MaxMem=  6442450944 cpu:           13393.8 elap:            1677.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10331374D+03

 Leave Link  801 at Wed Sep  8 12:57:44 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.04D-01 4.84D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.89D-02 4.54D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.04D-03 1.16D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 5.82D-04 3.63D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 6.94D-05 8.28D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 4.99D-06 3.37D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.00D-07 6.97D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.34D-08 1.79D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 4.23D-10 2.34D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.16D-11 4.02D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 4.31D-13 6.43D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.62D-14 1.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220220D+03
      2 -0.336166D+00  0.136181D+03
      3  0.599954D+00 -0.927704D-01  0.155487D+03
 Isotropic polarizability for W=    0.088559      170.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.245552D+03  0.391131D+02 -0.753546D+02
      2  -0.131783D+03 -0.109776D+02  0.331171D+02
      3  -0.113768D+03 -0.281355D+02  0.422375D+02
      4  -0.441536D+02  0.707622D+02  0.101819D+02
      5  -0.464615D+02  0.680194D+01  0.984023D+02
      6   0.687214D+01  0.115603D+02 -0.526950D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.690580D+01 -0.197507D+01  0.238156D+02
      2  -0.435687D+02  0.435191D+01  0.458416D+02
      3  -0.987828D+02 -0.377389D+02 -0.156215D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.337991D+01 -0.215568D+02  0.245595D+02
      2  -0.288931D+02  0.330972D+01  0.212170D+03
      3  -0.832667D+02 -0.202546D+03  0.701920D-01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.549906D+00  0.507971D+01  0.114034D+02
      2   0.507971D+01 -0.340655D+01 -0.822533D+00
      3   0.114034D+02 -0.822533D+00 -0.125940D+01
 OR G Eigenvalues:   -13.4904    -2.4050    11.7793  Iso=     1.3720
 Eigenvectors:
   (1)   0.661719  -0.385778  -0.642887
   (2)   0.107702   0.897483  -0.427697
   (3)   0.741976   0.213775   0.635430
 w=    0.088559 a.u., Optical Rotation Beta=      1.3720 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      337.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.24D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.93D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.26D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.46D-02 2.66D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.62D-03 6.90D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 4.51D-05 1.16D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.17D-06 1.15D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.36D-08 1.46D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.72D-10 2.10D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 5.30D-12 1.78D-07.
     29 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 8.51D-14 1.90D-08.
     15 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 1.15D-14 8.14D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 5.91D-15 4.24D-09.
      3 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 3.94D-15 8.11D-09.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 8.38D-15 6.43D-09.
      1 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 4.44D-15 4.73D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   294 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.96D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.96D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.17D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220220D+03 -0.336166D+00  0.599954D+00
      2  -0.336166D+00  0.136181D+03 -0.927704D-01
      3   0.599954D+00 -0.927704D-01  0.155487D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.690580D+01 -0.197507D+01  0.238156D+02
      2  -0.435687D+02  0.435191D+01  0.458416D+02
      3  -0.987828D+02 -0.377389D+02 -0.156215D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.245552D+03  0.391131D+02 -0.753546D+02
      2  -0.131783D+03 -0.109776D+02  0.331171D+02
      3  -0.113768D+03 -0.281355D+02  0.422375D+02
      4  -0.441536D+02  0.707622D+02  0.101819D+02
      5  -0.464615D+02  0.680194D+01  0.984023D+02
      6   0.687214D+01  0.115603D+02 -0.526950D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991294D+01  0.625529D+00  0.426959D-01  0.158916D+01  0.214959D+01
      2   0.625529D+00  0.181769D+01 -0.118968D+00  0.214959D+01 -0.167836D+01
      3   0.426959D-01 -0.118968D+00  0.323850D+01  0.843096D+00  0.328071D+01
                 6             7             8             9            10 
      1   0.843096D+00  0.127281D+02  0.686100D+00 -0.139535D+01  0.290815D+02
      2   0.328071D+01  0.686100D+00  0.150261D+01  0.433792D+00  0.116858D+01
      3  -0.239450D+00 -0.139535D+01  0.433792D+00  0.169453D-01 -0.146329D+01
                11            12            13            14            15 
      1   0.116858D+01 -0.146329D+01 -0.146400D+01  0.473045D+01  0.451754D+00
      2   0.175841D+01 -0.218805D+00  0.473045D+01 -0.851315D+00 -0.244647D+00
      3  -0.218805D+00  0.319374D+01  0.451754D+00 -0.244647D+00 -0.800192D+00
                16            17            18            19            20 
      1  -0.310857D+01  0.347702D+00  0.799476D+00  0.118977D+02 -0.452550D+00
      2   0.347702D+00 -0.370289D+00 -0.776709D+00 -0.452550D+00 -0.176327D+01
      3   0.799476D+00 -0.776709D+00  0.889198D+00 -0.272189D+00  0.115949D+01
                21            22            23            24            25 
      1  -0.272189D+00 -0.918589D+00 -0.181219D+01  0.529281D+00  0.111823D+02
      2   0.115949D+01 -0.181219D+01 -0.385747D+00  0.337181D+01 -0.721631D+00
      3  -0.273092D+01  0.529281D+00  0.337181D+01  0.533285D+00  0.118968D+01
                26            27            28            29            30 
      1  -0.721631D+00  0.118968D+01 -0.259819D+02 -0.496037D+00  0.523824D+00
      2   0.221281D+01  0.261863D+00 -0.496037D+00 -0.167710D+01 -0.100454D+00
      3   0.261863D+00  0.581962D+00  0.523824D+00 -0.100454D+00 -0.270591D+01
                31            32            33            34            35 
      1   0.269574D+01 -0.489848D+01 -0.269141D-01  0.135717D+01 -0.197433D+00
      2  -0.489848D+01  0.612638D+00 -0.118758D+00 -0.197433D+00 -0.609081D+00
      3  -0.269141D-01 -0.118758D+00  0.274775D+00 -0.597291D+00 -0.433993D+00
                36            37            38            39            40 
      1  -0.597291D+00  0.797239D+01 -0.329318D+00 -0.375813D+00  0.902847D-01
      2  -0.433993D+00 -0.329318D+00 -0.165747D+01 -0.857459D+00 -0.168020D+01
      3   0.112775D+01 -0.375813D+00 -0.857459D+00 -0.241377D+01 -0.587248D+00
                41            42            43            44            45 
      1  -0.168020D+01 -0.587248D+00 -0.124141D+02  0.426687D+00  0.448700D+00
      2   0.653391D+00 -0.282153D+01  0.426687D+00 -0.157270D+01 -0.797456D-01
      3  -0.282153D+01 -0.170579D+00  0.448700D+00 -0.797456D-01 -0.107412D+01
                46            47            48            49            50 
      1  -0.976062D+01  0.969146D-01  0.622553D+00  0.186370D+01  0.134913D+01
      2   0.969146D-01  0.143304D+01  0.127186D+00  0.134913D+01 -0.456693D+00
      3   0.622553D+00  0.127186D+00  0.140888D+01 -0.626247D+00 -0.322146D+01
                51            52            53            54            55 
      1  -0.626247D+00 -0.103812D+02 -0.369023D+00 -0.483544D+00 -0.135962D+02
      2  -0.322146D+01 -0.369023D+00 -0.186167D+01 -0.103712D-01 -0.212348D+01
      3  -0.728818D+00 -0.483544D+00 -0.103712D-01 -0.790229D+00  0.482535D+00
                56            57            58            59            60 
      1  -0.212348D+01  0.482535D+00 -0.756544D+01 -0.718710D+01  0.513517D+00
      2  -0.309556D+01  0.358470D+00 -0.718710D+01 -0.199155D-01  0.166736D+01
      3   0.358470D+00 -0.202164D+01  0.513517D+00  0.166736D+01  0.305288D+01
                61            62            63            64            65 
      1   0.423198D+01  0.666687D+00 -0.404523D+01 -0.102875D+01  0.257426D+01
      2   0.666687D+00  0.223832D+01  0.411320D+01  0.257426D+01  0.360793D+01
      3  -0.404523D+01  0.411320D+01 -0.980016D+00  0.279477D+01 -0.982885D+00
                66            67            68            69            70 
      1   0.279477D+01  0.116138D+02  0.671231D+01 -0.204903D+01  0.798585D+00
      2  -0.982885D+00  0.671231D+01  0.128655D+01 -0.195743D+01 -0.131953D+01
      3   0.250420D+01 -0.204903D+01 -0.195743D+01 -0.363960D+01  0.384614D+01
                71            72            73            74            75 
      1  -0.131953D+01  0.384614D+01  0.476055D+01 -0.160056D+01 -0.240157D+01
      2  -0.251458D+01 -0.400268D+01 -0.160056D+01 -0.344194D+01  0.122034D+01
      3  -0.400268D+01  0.317325D+01 -0.240157D+01  0.122034D+01 -0.239605D+01
                76            77            78            79            80 
      1  -0.384983D+01 -0.576218D+01  0.165894D+01 -0.229587D+01  0.134715D+01
      2  -0.576218D+01 -0.221752D+01  0.324921D+01  0.134715D+01  0.289895D+01
      3   0.165894D+01  0.324921D+01  0.367678D+01 -0.395285D+01  0.388108D+01
                81            82            83            84            85 
      1  -0.395285D+01  0.591554D+01 -0.266414D+01 -0.195435D+01 -0.378404D+01
      2   0.388108D+01 -0.266414D+01 -0.341642D+01  0.844099D+00 -0.424258D+01
      3  -0.362845D-01 -0.195435D+01  0.844099D+00 -0.210660D+01  0.149435D+01
                86            87            88            89            90 
      1  -0.424258D+01  0.149435D+01 -0.163227D+01  0.126195D+01 -0.269899D+01
      2  -0.408567D+01  0.207772D+01  0.126195D+01  0.344128D+01  0.278044D+01
      3   0.207772D+01  0.312420D+01 -0.269899D+01  0.278044D+01 -0.316521D+01
                91            92            93            94            95 
      1   0.353691D+01  0.252493D+01 -0.236927D+00  0.121732D+01  0.621961D+01
      2   0.252493D+01  0.254069D+01  0.752694D+00  0.621961D+01 -0.204195D+01
      3  -0.236927D+00  0.752694D+00  0.108770D+01  0.615533D+00  0.152459D+01
                96            97            98            99           100 
      1   0.615533D+00  0.359020D+01  0.534001D+00  0.170826D+01  0.174309D+01
      2   0.152459D+01  0.534001D+00  0.349795D+01 -0.387803D+00 -0.658187D+00
      3  -0.279852D+00  0.170826D+01 -0.387803D+00 -0.491992D+01  0.175482D+01
               101           102           103           104           105 
      1  -0.658187D+00  0.175482D+01 -0.211976D+00 -0.156878D+01 -0.515868D+00
      2  -0.634351D+00 -0.506409D+00 -0.156878D+01  0.314278D+01 -0.154329D+01
      3  -0.506409D+00  0.673198D+00 -0.515868D+00 -0.154329D+01  0.193947D+00
               106           107           108           109           110 
      1   0.240362D+01 -0.125836D+01  0.188355D+01 -0.443562D+01  0.793710D+00
      2  -0.125836D+01 -0.936961D+00 -0.109863D+01  0.793710D+00 -0.838036D+00
      3   0.188355D+01 -0.109863D+01  0.435824D+01 -0.377756D+01  0.400781D+00
               111           112           113           114           115 
      1  -0.377756D+01  0.538496D+00 -0.125939D+01  0.710392D+00 -0.735049D+01
      2   0.400781D+00 -0.125939D+01  0.225508D+00 -0.176795D+01  0.206922D+01
      3  -0.208824D+01  0.710392D+00 -0.176795D+01  0.826111D+00 -0.410219D+01
               116           117           118           119           120 
      1   0.206922D+01 -0.410219D+01  0.746246D+00  0.391877D+00  0.130367D+01
      2  -0.321620D+01  0.136223D+01  0.391877D+00  0.200213D+01 -0.245320D+00
      3   0.136223D+01 -0.905169D+01  0.130367D+01 -0.245320D+00  0.180094D+00
               121           122           123           124           125 
      1   0.517694D+00  0.140765D+01 -0.576007D+00  0.295229D+01 -0.189387D+01
      2   0.140765D+01 -0.282666D+01  0.284014D+01 -0.189387D+01  0.548143D+01
      3  -0.576007D+00  0.284014D+01  0.670275D-01 -0.351100D+00  0.175933D+01
               126           127           128           129           130 
      1  -0.351100D+00  0.345211D+01 -0.421378D+00  0.271397D+01 -0.112627D+01
      2   0.175933D+01 -0.421378D+00  0.482020D+00 -0.516118D+00  0.125880D+00
      3   0.312170D+01  0.271397D+01 -0.516118D+00  0.283950D+01 -0.622809D+00
               131           132           133           134           135 
      1   0.125880D+00 -0.622809D+00  0.292115D+01 -0.436060D+00  0.341031D+01
      2  -0.255320D+00  0.271918D+00 -0.436060D+00  0.967460D+00 -0.101967D+01
      3   0.271918D+00 -0.780402D+00  0.341031D+01 -0.101967D+01  0.669316D+01
               136           137           138           139           140 
      1  -0.230586D+01 -0.808211D-01  0.231247D+01  0.168959D+00  0.373333D-01
      2  -0.808211D-01 -0.213233D+00  0.692706D-01  0.373333D-01 -0.712888D-01
      3   0.231247D+01  0.692706D-01 -0.247393D+01 -0.833695D-01  0.176941D+00
               141           142           143           144           145 
      1  -0.833695D-01  0.222439D+01  0.249781D+00 -0.309002D+01 -0.364974D+01
      2   0.176941D+00  0.249781D+00  0.830359D+00 -0.535501D+00  0.531472D+00
      3  -0.288131D+00 -0.309002D+01 -0.535501D+00  0.850067D+01 -0.215232D+01
               146           147           148           149           150 
      1   0.531472D+00 -0.215232D+01  0.925738D+00 -0.154199D+00  0.508479D+00
      2  -0.525146D+00  0.209994D+00 -0.154199D+00  0.204252D+00 -0.207029D+00
      3   0.209994D+00 -0.200681D+01  0.508479D+00 -0.207029D+00  0.620636D+00
               151           152           153           154           155 
      1  -0.278173D+01  0.199865D+00 -0.294037D+01  0.222491D+01  0.419122D-01
      2   0.199865D+00 -0.800395D+00  0.449771D+00  0.419122D-01  0.216175D+00
      3  -0.294037D+01  0.449771D+00 -0.558662D+01 -0.217267D+01  0.156248D+00
               156           157           158           159           160 
      1  -0.217267D+01 -0.205299D+00 -0.280574D-01  0.116714D+00 -0.247123D+01
      2   0.156248D+00 -0.280574D-01 -0.485460D-01 -0.217936D+00 -0.882856D-01
      3   0.215775D+01  0.116714D+00 -0.217936D+00  0.118833D+00  0.303765D+01
               161           162           163           164           165 
      1  -0.882856D-01  0.303765D+01  0.253174D+01 -0.116829D+01 -0.142876D+01
      2  -0.784997D+00 -0.152195D+00 -0.116829D+01  0.142789D+01  0.553923D+00
      3  -0.152195D+00 -0.787453D+01 -0.142876D+01  0.553923D+00  0.772409D+00
               166           167           168           169           170 
      1  -0.148588D+01  0.249268D+01  0.948918D+00 -0.562580D+01  0.936800D+00
      2   0.249268D+01 -0.429700D+01 -0.243946D+01  0.936800D+00 -0.326033D+01
      3   0.948918D+00 -0.243946D+01 -0.190748D+01  0.240468D+01 -0.269982D+01
               171           172           173           174           175 
      1   0.240468D+01  0.246614D+01 -0.922020D+00  0.178398D+01 -0.205101D+00
      2  -0.269982D+01 -0.922020D+00  0.142688D+01 -0.698423D+00  0.164884D+01
      3  -0.304847D+01  0.178398D+01 -0.698423D+00  0.125665D+01 -0.597025D+00
               176           177           178           179           180 
      1   0.164884D+01 -0.597025D+00  0.437545D+01 -0.841064D+00  0.198097D+01
      2  -0.193923D+01  0.114771D+01 -0.841064D+00  0.198486D+01 -0.213854D+01
      3   0.114771D+01 -0.121420D+01  0.198097D+01 -0.213854D+01  0.354238D+01
               181           182           183           184           185 
      1  -0.159693D+01  0.118323D-01 -0.176072D+01 -0.288644D+00 -0.939167D+00
      2   0.118323D-01 -0.110095D+01  0.443169D+00 -0.939167D+00  0.142840D+01
      3  -0.176072D+01  0.443169D+00 -0.139318D+01  0.376764D+00 -0.115602D+01
               186           187           188           189           190 
      1   0.376764D+00 -0.276461D+01  0.237169D+00 -0.118375D+01  0.912541D+00
      2  -0.115602D+01  0.237169D+00 -0.133445D+01  0.186240D+01 -0.999145D+00
      3   0.207391D+01 -0.118375D+01  0.186240D+01 -0.537658D+01 -0.111370D+01
               191           192           193           194           195 
      1  -0.999145D+00 -0.111370D+01 -0.222864D+01  0.195144D+01  0.128493D+01
      2   0.794709D+00  0.442381D+00  0.195144D+01 -0.300305D+01 -0.260350D+01
      3   0.442381D+00  0.113036D+01  0.128493D+01 -0.260350D+01 -0.297025D+01
               196           197           198           199           200 
      1  -0.258379D+01  0.990551D+00  0.269454D+01  0.376941D+01 -0.833165D+00
      2   0.990551D+00 -0.259839D+01 -0.272602D+01 -0.833165D+00  0.114566D+01
      3   0.269454D+01 -0.272602D+01 -0.488394D+01  0.194592D+01 -0.606980D+00
               201           202           203           204           205 
      1   0.194592D+01 -0.167673D+01  0.179695D+01 -0.837640D+00  0.473977D+01
      2  -0.606980D+00  0.179695D+01 -0.114068D+01  0.682257D+00 -0.105033D+01
      3   0.170962D+01 -0.837640D+00  0.682257D+00 -0.148040D+01  0.275640D+01
               206           207           208           209           210 
      1  -0.105033D+01  0.275640D+01  0.440792D+01  0.284193D+01 -0.101470D+01
      2   0.123866D+01 -0.142913D+01  0.284193D+01  0.240579D+01 -0.803740D+00
      3  -0.142913D+01  0.373135D+01 -0.101470D+01 -0.803740D+00  0.951961D+00
               211           212           213           214           215 
      1   0.607341D+01  0.444677D+01 -0.168018D+01 -0.135186D+01 -0.105640D+01
      2   0.444677D+01  0.559061D+01 -0.168195D+01 -0.105640D+01 -0.143420D+01
      3  -0.168018D+01 -0.168195D+01  0.122270D+01  0.181415D+01  0.816192D+00
               216           217           218           219           220 
      1   0.181415D+01  0.131801D+01  0.184396D+00  0.186114D+01 -0.608092D+00
      2   0.816192D+00  0.184396D+00  0.101499D+01 -0.318771D-01  0.682630D+00
      3  -0.119596D+01  0.186114D+01 -0.318771D-01  0.225949D+01 -0.615232D+00
               221           222           223           224           225 
      1   0.682630D+00 -0.615232D+00  0.234806D+01  0.304297D-01  0.226297D+01
      2  -0.253899D+00  0.650854D+00  0.304297D-01  0.109695D+01 -0.181007D+00
      3   0.650854D+00 -0.173771D+01  0.226297D+01 -0.181007D+00  0.637513D+01
               226           227           228           229           230 
      1  -0.876864D+01  0.575206D+00  0.113587D+01 -0.297517D-01 -0.138083D+01
      2   0.575206D+00 -0.194205D+01 -0.780007D+00 -0.138083D+01  0.114220D+01
      3   0.113587D+01 -0.780007D+00 -0.100400D+01 -0.584668D+00  0.520945D-01
               231           232           233           234           235 
      1  -0.584668D+00  0.103447D+01 -0.461458D+00 -0.580034D+00  0.225181D+01
      2   0.520945D-01 -0.461458D+00 -0.113410D+00  0.171670D+00  0.284061D+01
      3   0.677207D-01 -0.580034D+00  0.171670D+00  0.982276D+00  0.110884D+00
               236           237           238           239           240 
      1   0.284061D+01  0.110884D+00  0.296095D+01  0.396519D+01 -0.139520D+00
      2   0.328844D+01  0.372621D-01  0.396519D+01  0.890946D+01 -0.171789D+00
      3   0.372621D-01  0.767372D+00 -0.139520D+00 -0.171789D+00  0.753336D+00
               241           242           243           244           245 
      1  -0.853954D+00 -0.801049D+00  0.860896D+00  0.243300D+00 -0.397711D+00
      2  -0.801049D+00 -0.180997D+01  0.778921D+00 -0.397711D+00 -0.538870D+00
      3   0.860896D+00  0.778921D+00 -0.212010D+00  0.171475D+01 -0.124954D+00
               246           247           248           249           250 
      1   0.171475D+01 -0.473934D+00 -0.103188D+01 -0.867820D-01  0.293955D+01
      2  -0.124954D+00 -0.103188D+01  0.259724D+00  0.807303D+00 -0.671941D-01
      3  -0.125636D+01 -0.867820D-01  0.807303D+00  0.693427D-02 -0.211133D+01
               251           252           253           254           255 
      1  -0.671941D-01 -0.211133D+01  0.890724D+01 -0.804908D+00 -0.140760D+01
      2   0.116452D+01  0.114217D+00 -0.804908D+00 -0.380389D+01 -0.759312D-01
      3   0.114217D+00  0.650657D+01 -0.140760D+01 -0.759312D-01 -0.108457D+01
               256           257           258           259           260 
      1  -0.609583D+01 -0.445641D+01 -0.608474D+00 -0.445588D+01 -0.819595D+00
      2  -0.445641D+01  0.162710D+01 -0.266168D+01 -0.819595D+00 -0.372729D+01
      3  -0.608474D+00 -0.266168D+01  0.460664D+00 -0.140434D+01  0.115604D+01
               261           262           263           264           265 
      1  -0.140434D+01 -0.108675D+01  0.150765D+01  0.420095D-01  0.159600D+01
      2   0.115604D+01  0.150765D+01 -0.202323D+01  0.559000D-01 -0.262455D+01
      3   0.405315D+01  0.420095D-01  0.559000D-01 -0.300489D+00  0.178006D+00
               266           267           268           269           270 
      1  -0.262455D+01  0.178006D+00 -0.733804D+00  0.123530D+01 -0.435614D+00
      2   0.862529D+01 -0.375898D+00  0.123530D+01 -0.350105D+01  0.105893D+01
      3  -0.375898D+00  0.118569D+01 -0.435614D+00  0.105893D+01 -0.390577D+00
               271           272           273           274           275 
      1  -0.408249D+00  0.865863D-01 -0.666634D+00  0.574747D+00  0.335068D+00
      2   0.865863D-01  0.678822D+00  0.172330D+00  0.335068D+00 -0.416629D+00
      3  -0.666634D+00  0.172330D+00  0.347667D+00 -0.439270D-01 -0.676523D+00
               276           277           278           279           280 
      1  -0.439270D-01 -0.205396D+01 -0.525603D+00 -0.480824D+00 -0.155178D+02
      2  -0.676523D+00 -0.525603D+00 -0.171573D+01 -0.142220D+01 -0.203506D+01
      3  -0.766992D+00 -0.480824D+00 -0.142220D+01 -0.589288D+01  0.496223D+00
               281           282           283           284           285 
      1  -0.203506D+01  0.496223D+00  0.864355D+00 -0.104498D+01  0.478265D-01
      2  -0.149311D+01 -0.512151D-01 -0.104498D+01 -0.227230D+00  0.320671D+00
      3  -0.512151D-01 -0.963152D+00  0.478265D-01  0.320671D+00  0.880095D-01
               286           287           288           289           290 
      1   0.168974D+01  0.354398D+00 -0.131647D+01 -0.889572D-01 -0.810638D+00
      2   0.354398D+00  0.634878D+00 -0.296086D+00 -0.810638D+00  0.212333D+01
      3  -0.131647D+01 -0.296086D+00 -0.340535D-01  0.556703D+00 -0.283991D+00
               291           292           293           294           295 
      1   0.556703D+00 -0.107234D+01  0.194540D-01  0.244318D-02  0.134235D+01
      2  -0.283991D+00  0.194540D-01 -0.749120D+01  0.174557D+01  0.333110D+00
      3   0.466539D+00  0.244318D-02  0.174557D+01 -0.134339D+01  0.709275D-01
               296           297 
      1   0.333110D+00  0.709275D-01
      2   0.297066D+01 -0.160997D+01
      3  -0.160997D+01  0.859364D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234535D+01  0.292323D+01  0.187832D+01  0.906443D+01  0.169095D+01
      2   0.545409D+01 -0.165554D+01  0.356130D+01 -0.203119D+01 -0.105646D+01
      3   0.125081D+02 -0.185338D+01 -0.361427D+00  0.102613D+02  0.962928D-02
                 6             7             8             9            10 
      1  -0.207888D+01 -0.100248D+01  0.313099D+01  0.310980D+00 -0.390654D+01
      2  -0.204412D+00 -0.921662D+01  0.267062D+00  0.194185D+00 -0.145155D+02
      3  -0.450649D+01 -0.122878D+02 -0.234616D+01  0.979755D+00 -0.275521D+02
                11            12            13            14            15 
      1  -0.752848D+00  0.174012D+01  0.151614D+01  0.418219D+00 -0.992678D+01
      2   0.335854D-01 -0.244175D+01  0.187767D+01 -0.211051D+01 -0.113204D+00
      3  -0.471603D+00  0.581970D+00  0.111381D+02 -0.207547D+01  0.101388D+00
                16            17            18            19            20 
      1  -0.297599D+01 -0.397058D+01 -0.669780D+00 -0.249442D+01 -0.136605D+01
      2  -0.226017D+02 -0.291378D+01 -0.342840D+01 -0.751133D+01  0.270149D+00
      3   0.260236D+01  0.689783D+00 -0.815679D-01 -0.108603D+02  0.222851D+00
                21            22            23            24            25 
      1  -0.112781D+01 -0.536183D+01  0.227807D+01 -0.100945D-02 -0.127049D+00
      2   0.811843D+01 -0.134126D+01  0.465993D+00 -0.135834D+01 -0.111792D+02
      3  -0.532498D-01  0.113503D+02  0.736202D+00  0.281250D+01 -0.105907D+02
                26            27            28            29            30 
      1   0.407141D+01  0.919271D+00  0.144761D+01 -0.222510D+00 -0.255327D+01
      2   0.683836D+00  0.149576D+01  0.106450D+02  0.115863D+01 -0.343798D+01
      3   0.372034D+01 -0.170603D+01  0.226654D+02 -0.217518D+00 -0.116854D+01
                31            32            33            34            35 
      1  -0.293032D+01  0.120036D+01 -0.951453D+01 -0.445173D+01 -0.296776D+01
      2  -0.568163D+00  0.288779D+01  0.131421D+01 -0.245683D+02  0.113342D+01
      3   0.736417D+01  0.419975D+01 -0.515650D+00 -0.206061D+00 -0.387814D+01
                36            37            38            39            40 
      1  -0.111215D+00 -0.115827D+01  0.113124D+01 -0.126785D+01  0.641362D+01
      2  -0.408354D+00 -0.941709D+01 -0.150111D+01  0.572962D+01 -0.100535D+01
      3   0.394017D+01 -0.819805D+01 -0.505174D+00  0.154234D+01  0.129513D+02
                41            42            43            44            45 
      1  -0.235240D+01 -0.328701D+01  0.280038D+01  0.217282D+01 -0.108980D+01
      2  -0.112553D+01  0.180742D+00  0.329115D+01  0.460331D+00 -0.288766D+01
      3   0.591717D-02 -0.310926D+01  0.120528D+02 -0.191228D+01 -0.189874D+01
                46            47            48            49            50 
      1   0.286299D+01 -0.149124D+01  0.139302D+01 -0.606080D+01 -0.140028D+01
      2   0.103833D+02  0.186335D+00  0.104811D+02 -0.112929D+01  0.610283D+00
      3   0.133562D+02 -0.511520D+00  0.481894D+00  0.121402D+02 -0.471287D+00
                51            52            53            54            55 
      1  -0.258205D+01  0.119752D+01  0.305964D+01 -0.230912D+00  0.323010D+01
      2  -0.188118D+01  0.205853D+01 -0.157367D+00  0.494719D+01  0.237643D+01
      3   0.308987D+01  0.110706D+02  0.136128D+01  0.918008D+00  0.148868D+02
                56            57            58            59            60 
      1   0.180221D+01 -0.133102D+01  0.510153D+01  0.421783D+01  0.178763D+01
      2   0.275495D+00 -0.430042D+01  0.123443D+01  0.624597D+01  0.137484D+02
      3   0.752788D+01 -0.865594D+00  0.368142D+02  0.806692D+01 -0.565645D+01
                61            62            63            64            65 
      1  -0.202633D+01  0.712244D+01 -0.182463D+01 -0.438883D+01 -0.938295D+00
      2  -0.234390D+02  0.151123D+02 -0.563364D+01  0.858258D+01 -0.336351D+01
      3  -0.707139D+01 -0.714035D+01 -0.991206D+01 -0.173053D+02 -0.189943D+02
                66            67            68            69            70 
      1  -0.162262D+01 -0.226337D+01 -0.632975D+00  0.195270D+00  0.171835D+01
      2   0.153261D+02 -0.820735D+01 -0.667741D+01 -0.183031D+02  0.121417D+02
      3   0.551390D+01 -0.282716D+02 -0.588736D+01  0.613358D+01  0.970671D+01
                71            72            73            74            75 
      1   0.739875D+01 -0.777350D+00  0.187362D+01  0.223537D+01 -0.481065D+00
      2  -0.177088D+02  0.166018D+02 -0.904225D+01  0.551190D+01 -0.142533D+02
      3   0.923264D+01  0.172391D+02  0.947668D+01  0.175757D+02 -0.719274D+01
                76            77            78            79            80 
      1   0.420142D+01  0.830366D+00 -0.539705D+01 -0.929671D-01 -0.168456D+01
      2   0.699227D+01  0.142349D+02  0.233907D+02 -0.293042D+02  0.228661D+02
      3   0.371399D+02  0.111670D+02 -0.185243D+02 -0.744673D+01 -0.160708D+02
                81            82            83            84            85 
      1  -0.252685D+01  0.304519D+01 -0.489552D+01  0.498174D+01 -0.641619D+01
      2  -0.172140D+01 -0.146807D+02  0.681479D+01 -0.262847D+01  0.864832D+01
      3  -0.221128D+02  0.226328D+02  0.490778D+01 -0.791213D+01  0.133039D+02
                86            87            88            89            90 
      1  -0.102496D+02 -0.706872D+01  0.644344D+01 -0.644208D+00  0.937591D+01
      2   0.104598D+02  0.100545D+02 -0.906021D+01  0.889393D+01 -0.102154D+02
      3   0.847081D+01 -0.567914D+01 -0.910384D+01 -0.101799D+02 -0.136142D+02
                91            92            93            94            95 
      1   0.809011D+00  0.797617D+00  0.194099D+01  0.190899D+01 -0.626783D+00
      2  -0.422042D+01 -0.315800D+01  0.269550D+00  0.594402D+00 -0.938755D+01
      3  -0.659091D-01  0.276113D+01  0.257105D+01  0.326113D+02 -0.107970D+02
                96            97            98            99           100 
      1  -0.347745D+01  0.250569D+01  0.475132D+01 -0.189987D+01 -0.105377D+01
      2   0.428385D+00 -0.168964D+02  0.189283D+01  0.175592D+02  0.468265D+01
      3   0.562161D+01 -0.270857D+01  0.107007D+02 -0.292350D+01  0.119872D+02
               101           102           103           104           105 
      1  -0.595008D+01 -0.315403D+01 -0.188071D+01  0.115683D+00  0.590121D+00
      2  -0.147964D+00  0.402484D+01 -0.221101D+01  0.701244D+01  0.449522D+01
      3  -0.166751D+02 -0.112856D+01 -0.954099D+01  0.440123D+01 -0.243701D+01
               106           107           108           109           110 
      1  -0.591370D+01 -0.483904D+00 -0.455723D+01  0.438809D+01  0.350127D+01
      2  -0.511335D+01  0.463445D+01 -0.230800D+02  0.932321D+01 -0.113641D+01
      3  -0.405542D+01  0.484831D+01 -0.254617D+01 -0.361238D+01 -0.280657D+01
               111           112           113           114           115 
      1   0.277632D+01  0.685194D+00  0.115019D+01 -0.340300D+01  0.349032D+01
      2   0.877849D+01  0.268468D+00  0.605518D+01 -0.495235D+01  0.686929D+01
      3  -0.113853D+01 -0.573525D+00  0.232411D+01 -0.643481D+01  0.880445D+01
               116           117           118           119           120 
      1   0.796302D+01  0.111041D+02 -0.351483D+01  0.237746D+01 -0.607350D+00
      2  -0.391829D+01  0.357391D+02 -0.575413D+01  0.171284D+01  0.998842D+00
      3  -0.156371D+02  0.355073D+01  0.701411D+00  0.705149D+01  0.166655D+01
               121           122           123           124           125 
      1   0.332343D+00 -0.451394D+01 -0.367127D+01 -0.253454D+01  0.626776D+01
      2  -0.512540D+00 -0.994990D+01 -0.124796D+01 -0.242895D+01 -0.495603D+01
      3   0.652540D+01 -0.489670D+01  0.881831D+01 -0.413377D+01  0.161645D+02
               126           127           128           129           130 
      1  -0.809167D+01  0.212742D+01  0.201614D+01  0.208054D+01 -0.102757D+01
      2  -0.106897D+02 -0.623818D+01 -0.347976D-01 -0.106313D+01  0.152676D+01
      3   0.607798D+01 -0.331742D+01 -0.134828D+01 -0.195568D+01  0.281392D+01
               131           132           133           134           135 
      1  -0.117262D+00 -0.219674D+01  0.289163D+01  0.305852D+01  0.477413D+01
      2  -0.439573D-01 -0.228410D+00 -0.429452D+01 -0.245404D+00  0.123516D+01
      3   0.377225D+00  0.379581D+00 -0.273887D+01 -0.202708D+01 -0.206592D+01
               136           137           138           139           140 
      1   0.176884D+01 -0.170630D+01 -0.192143D+01  0.358415D+00  0.178434D+00
      2   0.511925D+01  0.746746D-01 -0.167549D+01 -0.546343D+00 -0.236239D-01
      3   0.163652D+01 -0.760213D+00 -0.163294D+01  0.126873D+01 -0.490923D-01
               141           142           143           144           145 
      1  -0.183268D+01 -0.192107D+01  0.389734D+01  0.529187D+01 -0.247936D+01
      2   0.442576D+00 -0.482599D+01 -0.180965D+00 -0.104618D+01 -0.752894D+01
      3   0.129941D-01 -0.142626D+01  0.165962D+01  0.195434D+01  0.265926D+01
               146           147           148           149           150 
      1   0.257833D+01 -0.140290D+01  0.435307D+00 -0.543896D+00 -0.107907D+01
      2   0.116058D+01 -0.143860D+01  0.125083D+01 -0.238081D+00  0.330047D+00
      3  -0.156149D+01  0.144009D+01  0.691473D+00  0.420414D+00 -0.190082D+00
               151           152           153           154           155 
      1  -0.182664D+01  0.349698D+01 -0.348882D+01 -0.205210D+01 -0.157848D+01
      2  -0.434667D+01 -0.150288D-01  0.103823D+01  0.464426D+01  0.423738D+00
      3   0.157019D+01 -0.225926D+01  0.206104D+01 -0.138916D+01 -0.702874D+00
               156           157           158           159           160 
      1   0.131905D+01  0.164077D+00 -0.209303D+00 -0.167724D+01  0.259876D+01
      2  -0.132612D+01 -0.117043D+00 -0.279770D+00 -0.108219D+00 -0.464078D+01
      3   0.123463D+01  0.173386D+01  0.238991D+00 -0.112375D-01  0.196999D+01
               161           162           163           164           165 
      1   0.387145D+01 -0.533881D+01 -0.117352D+01 -0.108176D+00  0.147595D+01
      2  -0.347180D+00 -0.233635D+01 -0.500937D+01  0.153898D+01  0.433701D+01
      3   0.189819D+01 -0.175241D+01 -0.265907D+00 -0.443255D+01 -0.296329D-01
               166           167           168           169           170 
      1   0.472463D+00 -0.136806D+01 -0.366228D+01  0.276936D+01 -0.109351D+01
      2   0.240665D+01 -0.855840D+01 -0.739471D+01  0.595472D+01 -0.100097D+02
      3  -0.371635D+01  0.107375D+02  0.588107D+01  0.367921D+01  0.968235D+01
               171           172           173           174           175 
      1  -0.402308D+01  0.200663D+01 -0.313965D+00  0.194745D+01 -0.144691D+01
      2  -0.100677D+02  0.673974D+01 -0.254001D+01  0.601167D+01 -0.173178D+01
      3   0.563077D+01 -0.769046D-01 -0.490574D+01  0.456451D+00 -0.241322D+01
               176           177           178           179           180 
      1   0.805132D+00 -0.318238D+01  0.208411D+01 -0.664947D+00  0.531919D+01
      2   0.353818D+01 -0.485946D+01  0.290739D+01 -0.774141D+01  0.133540D+02
      3   0.439963D+01 -0.236824D+01 -0.268791D+01 -0.601849D+01  0.432120D+01
               181           182           183           184           185 
      1   0.230792D+01  0.128073D+01  0.151809D+01  0.367210D+00 -0.589587D+00
      2  -0.103991D+02  0.184499D+01 -0.665026D+01  0.196449D+01 -0.519275D+01
      3  -0.258946D+01  0.338423D+01 -0.287084D+01  0.602045D+01 -0.559934D+01
               186           187           188           189           190 
      1  -0.210582D+01  0.158061D+01  0.174201D+01  0.325997D+01  0.127921D+01
      2   0.789441D+01 -0.107167D+02  0.730332D+01 -0.220405D+02 -0.550380D+01
      3   0.476178D+01 -0.340469D+01  0.482264D+01 -0.878482D+01  0.538498D+01
               191           192           193           194           195 
      1  -0.101947D+01 -0.271555D+00 -0.162563D+01  0.412384D+01  0.113620D+01
      2   0.168378D+01  0.615717D+01  0.373998D+01 -0.127846D+02 -0.162988D+02
      3  -0.533776D+01 -0.278608D+01 -0.819957D+01  0.168800D+02  0.140216D+02
               196           197           198           199           200 
      1  -0.118639D+01  0.484095D+01  0.232936D+01  0.144694D+00 -0.220515D-02
      2   0.991555D+01 -0.145260D+02 -0.247627D+02  0.128948D+02 -0.408392D+01
      3  -0.443334D+01  0.149245D+02  0.149419D+02  0.489374D+01 -0.772741D+01
               201           202           203           204           205 
      1   0.574700D+00 -0.811149D+00 -0.752631D-01 -0.123012D+01 -0.167790D-01
      2   0.125315D+02 -0.528520D+01  0.492256D+01 -0.975250D+01  0.154802D+02
      3   0.368616D+01 -0.820795D+01  0.677727D+01 -0.376397D+01  0.571240D+01
               206           207           208           209           210 
      1   0.156740D+01  0.733576D+00 -0.200606D+01 -0.206097D+01 -0.605908D+00
      2  -0.883934D+01  0.238785D+02 -0.198686D+01 -0.227536D+01  0.654789D+01
      3  -0.800941D+01  0.828255D+01 -0.134051D+02 -0.146303D+02  0.428149D+01
               211           212           213           214           215 
      1  -0.252659D+01 -0.449299D+01 -0.131912D+01  0.237041D-01  0.189796D+01
      2  -0.444393D+01 -0.613627D+01  0.666473D+01  0.770936D+01  0.333173D+01
      3  -0.200724D+02 -0.310828D+02  0.873643D+01  0.513979D+01  0.816275D+01
               216           217           218           219           220 
      1   0.320171D+00 -0.376940D+01  0.186504D+01 -0.438236D+01  0.156259D+01
      2  -0.530006D+01  0.541466D+01  0.135153D+00  0.757903D+01 -0.595943D+00
      3  -0.372300D+01  0.587065D+00 -0.454705D+01  0.257502D+01 -0.204565D+01
               221           222           223           224           225 
      1  -0.222386D+01  0.299137D+01 -0.429687D+01  0.467523D+01 -0.124225D+02
      2   0.185079D+01 -0.659933D+01  0.250813D+01 -0.767221D+00  0.212551D+02
      3   0.249363D+01 -0.292093D+01  0.322697D+01 -0.501569D+01  0.358357D+01
               226           227           228           229           230 
      1  -0.353047D+01 -0.887319D+00  0.227635D+01 -0.656872D+00  0.283409D+00
      2   0.150726D+02 -0.280747D+01 -0.315047D+01 -0.159940D+01  0.184544D+01
      3  -0.225734D+02  0.549812D+01  0.494875D+01  0.650643D+01 -0.538880D+01
               231           232           233           234           235 
      1  -0.549320D+00  0.243619D+01  0.132234D+01 -0.177245D+01  0.192622D+01
      2  -0.636285D-01 -0.616365D+01  0.537846D+00  0.334453D+01 -0.121737D+01
      3  -0.129249D+01  0.403159D+01 -0.759006D-01 -0.195234D+01 -0.631137D+01
               236           237           238           239           240 
      1   0.306132D+01 -0.290323D+01  0.448082D+01  0.790507D+01 -0.449389D+01
      2  -0.192848D+01  0.394225D+01 -0.325900D+01 -0.382839D+01  0.400418D+01
      3  -0.910530D+01 -0.676652D-01 -0.600286D+01 -0.273968D+02  0.686915D-01
               241           242           243           244           245 
      1  -0.222380D+01 -0.165505D+01  0.133939D+01  0.473477D+00 -0.697162D+00
      2   0.265530D+01  0.306623D+01 -0.117355D+01 -0.669294D+01  0.569545D+00
      3   0.177396D+01  0.585352D+01 -0.146190D+01 -0.869114D+00 -0.238756D+01
               246           247           248           249           250 
      1  -0.771068D+00 -0.418740D+00  0.802429D+00 -0.268477D+00 -0.125493D+01
      2   0.401371D+01  0.372114D+00 -0.176090D+01  0.779832D-01  0.161953D+01
      3  -0.119002D+01 -0.153123D+01  0.103484D+01  0.230212D+01 -0.120782D+01
               251           252           253           254           255 
      1   0.333264D+01  0.259814D+01 -0.190429D+01  0.716705D+00 -0.304448D+01
      2  -0.495108D+00 -0.206968D+02  0.992559D+01  0.139627D+01  0.726479D+01
      3   0.334922D+01  0.193030D+01 -0.202203D+02 -0.167205D+02  0.195027D+01
               256           257           258           259           260 
      1  -0.140609D+01 -0.656916D+01  0.672811D+00 -0.829090D+00  0.606124D+01
      2   0.437538D+01  0.112427D+02 -0.350251D+01  0.485094D+01 -0.527516D+01
      3  -0.838053D+01  0.138947D+02 -0.997969D+01  0.132326D+01 -0.128075D+02
               261           262           263           264           265 
      1   0.867153D+01  0.772526D+00 -0.124043D+01  0.940054D+00 -0.230633D+01
      2  -0.193546D+02  0.203920D+00 -0.850628D+00  0.836175D+00 -0.970434D+00
      3   0.621651D+01  0.311331D+01 -0.468398D+01 -0.609253D+00 -0.396677D+01
               266           267           268           269           270 
      1   0.700235D+01 -0.362434D+01  0.126376D+01 -0.308428D+01  0.241593D+01
      2   0.268902D+01 -0.408322D+01  0.110826D+01 -0.384192D+01  0.183249D+01
      3   0.257407D+02 -0.965768D+00  0.241107D+01 -0.109865D+02  0.316672D+01
               271           272           273           274           275 
      1  -0.178838D+01 -0.509685D+00  0.899222D+00 -0.311189D+00 -0.203836D+01
      2   0.476182D+01 -0.490975D+00 -0.207292D+01  0.862404D+00  0.296377D+01
      3   0.183181D+00  0.172293D+01  0.160463D+01  0.130931D+01 -0.183483D+01
               276           277           278           279           280 
      1  -0.175831D+01  0.905501D-01  0.698782D+00 -0.121500D+02  0.885645D+00
      2   0.290304D+01 -0.240305D+01  0.527724D+01  0.244635D+02 -0.372202D+01
      3  -0.237061D+01  0.185519D+01 -0.542087D+01 -0.480272D+01  0.169240D+02
               281           282           283           284           285 
      1   0.670510D-01 -0.226126D+01  0.340672D+00  0.782745D+00 -0.511521D+00
      2   0.232492D+00  0.740534D+01 -0.622341D+00 -0.143467D+01  0.168312D+00
      3  -0.630341D+01 -0.126414D+01 -0.393285D+01  0.772240D+00  0.126832D+01
               286           287           288           289           290 
      1  -0.229666D+01  0.302929D+00 -0.360856D+00  0.152570D+01 -0.613015D+00
      2   0.422340D+01  0.959306D+00  0.551846D+00 -0.249468D+01  0.915367D+00
      3  -0.122060D+01  0.216460D+01  0.839432D+00 -0.481902D+01  0.844931D+01
               291           292           293           294           295 
      1   0.196728D+01 -0.244180D+00  0.425355D+01 -0.521126D+01  0.917185D+00
      2  -0.173908D+01  0.634079D-01 -0.643604D+01  0.485386D+01 -0.220672D+01
      3  -0.226024D+01  0.502388D+01 -0.278362D+02  0.701694D+01 -0.220685D+01
               296           297 
      1  -0.236703D+01  0.252441D+01
      2   0.568551D+01 -0.294808D+01
      3   0.105505D+02 -0.629590D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.743698D+01  0.373444D+01 -0.273637D+02  0.721422D+01 -0.124871D+02
      2   0.469376D+01 -0.406304D+01  0.827790D+01 -0.723459D+01  0.135010D+02
      3   0.274321D+01  0.328601D+00  0.190858D+02  0.203735D-01 -0.101389D+01
      4   0.639327D+01  0.333246D+01  0.334093D+01  0.106512D+02 -0.293432D+01
      5  -0.142202D+02  0.328830D+01 -0.606316D+01  0.430248D+01  0.607944D+01
      6   0.349745D+01  0.488400D+01 -0.308907D+01  0.455625D+01 -0.953394D+01
                 6             7             8             9            10 
      1   0.968427D+01  0.359575D+02  0.339042D+01  0.849278D+01  0.456675D+02
      2  -0.112129D+02 -0.264055D+01 -0.669009D+01  0.311281D+01 -0.187728D+02
      3   0.152866D+01 -0.333169D+02  0.329967D+01 -0.116056D+02 -0.268947D+02
      4   0.582770D+01 -0.342830D+01  0.533278D+01  0.311486D+01 -0.121248D+02
      5   0.301845D+01  0.213510D+01  0.195509D+01 -0.990013D+01 -0.978464D+01
      6   0.133524D+02  0.472535D+01  0.520898D+01  0.327333D+01  0.616377D+01
                11            12            13            14            15 
      1   0.727908D+01 -0.498006D+01  0.791479D+01  0.875921D+00  0.900714D+00
      2  -0.647805D+01  0.983967D+00 -0.117355D+02  0.913667D+01  0.131990D+01
      3  -0.801028D+00  0.399609D+01  0.382072D+01 -0.100126D+02 -0.222062D+01
      4   0.353729D+00  0.155120D+00  0.216979D+02 -0.441036D+01 -0.136641D+01
      5  -0.511145D+00  0.933035D+01  0.447258D+01 -0.409231D+00 -0.313158D+01
      6   0.151882D+01 -0.773651D+01  0.966622D+00  0.214648D+01  0.605444D+01
                16            17            18            19            20 
      1  -0.991157D+01 -0.930869D+00 -0.212207D+02  0.756506D+01 -0.713394D+01
      2  -0.104547D+01  0.371130D+01 -0.937636D+00  0.479666D-01  0.593310D+01
      3   0.109570D+02 -0.278043D+01  0.221583D+02 -0.761303D+01  0.120085D+01
      4   0.200097D+01 -0.200574D+01 -0.406892D+01 -0.485202D+01 -0.470686D+00
      5  -0.175386D+02 -0.348677D+01  0.107204D+01  0.135106D+02 -0.447338D+00
      6  -0.802607D+00 -0.412354D+01 -0.215966D+01 -0.217038D+01 -0.586161D+01
                21            22            23            24            25 
      1   0.277691D+02 -0.139675D+00 -0.114063D+02 -0.146595D+01 -0.201563D+02
      2  -0.115241D+02  0.210793D+01  0.875709D+01 -0.644205D+01 -0.323553D+01
      3  -0.162450D+02 -0.196826D+01  0.264923D+01  0.790800D+01  0.233918D+02
      4   0.918838D+00  0.125390D+02  0.348377D+01 -0.525383D+01 -0.536629D+01
      5  -0.114472D+02 -0.414139D+01 -0.441902D+01  0.192009D+01  0.692039D+01
      6   0.806432D+01 -0.446845D+01 -0.569909D+01  0.150254D+02 -0.248142D+01
                26            27            28            29            30 
      1   0.701742D+00  0.107633D+02  0.147108D+02 -0.598711D-01  0.209957D+01
      2  -0.363938D+01  0.562823D+01 -0.138530D+01  0.412030D+01  0.174519D+01
      3   0.293764D+01 -0.163915D+02 -0.133255D+02 -0.406043D+01 -0.384476D+01
      4  -0.654757D+01 -0.467010D+00  0.235777D+02  0.238616D+01  0.379165D+00
      5  -0.413611D+00  0.975618D+01 -0.215812D+00  0.331669D+00  0.792479D+01
      6   0.765973D+01  0.817205D+00 -0.589949D+00 -0.273926D+01  0.360850D+01
                31            32            33            34            35 
      1  -0.218709D+01  0.115033D+01  0.148533D+01 -0.422689D+01  0.351254D+01
      2   0.438513D+01  0.689370D+01 -0.847859D+00 -0.589554D+00  0.907249D+00
      3  -0.219804D+01 -0.804403D+01 -0.637469D+00  0.481645D+01 -0.441979D+01
      4   0.188874D+02  0.183372D+01  0.216122D+01  0.600127D+00  0.568508D+01
      5   0.677677D+00  0.164073D+01 -0.977335D-01 -0.216846D+02 -0.521459D+00
      6  -0.313997D+01  0.684093D+00  0.292391D+01  0.146680D+01 -0.477236D+01
                36            37            38            39            40 
      1  -0.253476D+02  0.881618D+00 -0.151178D+01 -0.276440D+02 -0.245432D+01
      2   0.263007D+00 -0.341081D+00  0.305093D+01  0.108065D+02  0.154878D+01
      3   0.250846D+02 -0.540537D+00 -0.153916D+01  0.168375D+02  0.905542D+00
      4  -0.291128D+01 -0.124894D+01  0.139880D+01  0.432508D+00  0.562563D+01
      5  -0.859927D+00 -0.216920D+02  0.143548D+01 -0.135853D+01  0.314537D+01
      6  -0.390841D+01  0.491745D+01  0.577198D+01  0.448590D+01  0.653667D+01
                41            42            43            44            45 
      1  -0.885830D+01 -0.116827D+01  0.239593D+02 -0.390155D+01  0.124224D+02
      2   0.957513D+01  0.235882D+01  0.307369D+01  0.141927D+01  0.875433D+00
      3  -0.716830D+00 -0.119054D+01 -0.270330D+02  0.248228D+01 -0.132978D+02
      4   0.240098D+01  0.629375D+01  0.645952D+01  0.565768D+01  0.244510D+01
      5   0.356187D+01  0.218346D+01  0.131884D+02  0.976554D+00 -0.952001D+01
      6   0.346397D+01  0.987514D+01  0.284721D+00  0.498941D+01  0.524991D+01
                46            47            48            49            50 
      1  -0.173469D+01 -0.236917D+01  0.250466D+02  0.484751D+01 -0.108694D+02
      2   0.582689D+01 -0.351065D-01 -0.903367D+01 -0.235343D+01  0.109716D+02
      3  -0.409220D+01  0.240427D+01 -0.160129D+02 -0.249408D+01 -0.102130D+00
      4   0.303540D+01  0.777866D+00 -0.168829D+01  0.378008D+01  0.253437D-01
      5   0.238523D+02 -0.148107D+01 -0.657010D+01 -0.573564D+01 -0.301701D+01
      6  -0.474962D+01 -0.339477D+01 -0.607413D-01 -0.328115D+01  0.707459D+01
                51            52            53            54            55 
      1  -0.117746D+02 -0.267739D+02 -0.508164D+01  0.122652D+02 -0.328493D+02
      2   0.837176D+01  0.253961D+01  0.511970D+01  0.654911D+01  0.155902D+02
      3   0.340289D+01  0.242342D+02 -0.380560D-01 -0.188143D+02  0.172590D+02
      4  -0.457708D+01  0.416379D+01 -0.410967D+01 -0.203735D-01 -0.113311D+01
      5   0.338876D+00  0.109629D+02  0.251693D-01  0.921307D+01  0.176070D+01
      6   0.129154D+02 -0.193192D+01  0.656432D+01  0.241220D+01 -0.501455D+01
                56            57            58            59            60 
      1  -0.996347D+01 -0.218546D+01 -0.468103D+02 -0.278419D+02  0.949199D+01
      2   0.620387D+01  0.123203D+01  0.261235D+02  0.117168D+02 -0.655601D+01
      3   0.375960D+01  0.953427D+00  0.206868D+02  0.161251D+02 -0.293598D+01
      4  -0.213028D+02  0.199102D+01 -0.487934D+02  0.579162D+01  0.118956D+02
      5   0.279934D+01 -0.157517D+02  0.702488D+01  0.125619D+02  0.228084D+02
      6  -0.106455D+01  0.525499D+01  0.291313D+01 -0.725719D+01 -0.105793D+02
                61            62            63            64            65 
      1   0.744580D+01  0.878113D+01 -0.127197D+02 -0.437068D+02  0.112961D+02
      2  -0.464653D+00 -0.469116D+01  0.306334D+01  0.288922D+02 -0.518967D+01
      3  -0.698115D+01 -0.408997D+01  0.965632D+01  0.148146D+02 -0.610646D+01
      4   0.294394D+01  0.148374D+02  0.342236D+02  0.139789D+02  0.271192D+02
      5  -0.317617D+02  0.303839D+02 -0.894615D+01  0.282347D+02 -0.683177D+01
      6   0.141307D+02 -0.122025D+02 -0.856539D+00  0.589205D+01 -0.247681D+00
                66            67            68            69            70 
      1   0.304504D+02  0.504383D+02  0.447852D+02 -0.126807D+02  0.291784D+02
      2  -0.149667D+02 -0.208245D+02 -0.191068D+02  0.330335D+01 -0.143498D+02
      3  -0.154837D+02 -0.296138D+02 -0.256784D+02  0.937737D+01 -0.148286D+02
      4  -0.481135D+01  0.475946D+02  0.808867D+01 -0.151368D+02 -0.840678D+01
      5   0.163223D+02 -0.181643D+02 -0.173402D+02 -0.296668D+02  0.306988D+02
      6   0.658894D+01 -0.366796D+01 -0.212274D+01 -0.690590D+01  0.162954D+01
                71            72            73            74            75 
      1  -0.782133D+01  0.399484D+02  0.498909D+02 -0.137591D+02 -0.308312D+02
      2  -0.365430D+01 -0.199684D+02 -0.296193D+02  0.403331D+01  0.142985D+02
      3   0.114756D+02 -0.199800D+02 -0.202717D+02  0.972576D+01  0.165327D+02
      4  -0.177590D+02 -0.279906D+02 -0.191176D+02 -0.385446D+02  0.134292D+02
      5  -0.302860D+02  0.209967D+02 -0.274309D+02  0.149121D+02 -0.260199D+02
      6  -0.554786D+01  0.799299D+01  0.246635D+01  0.689865D+01 -0.972013D+00
                76            77            78            79            80 
      1  -0.271763D+02 -0.481741D+02  0.215665D+02 -0.333925D+02  0.183985D+02
      2   0.696270D+01  0.245101D+02 -0.206335D+01  0.145779D+02 -0.105197D+01
      3   0.202136D+02  0.236640D+02 -0.195031D+02  0.188146D+02 -0.173465D+02
      4  -0.624401D+02 -0.255598D+02  0.342513D+02  0.164142D+02  0.294225D+02
      5   0.216593D+02  0.373743D+02  0.403604D+02 -0.439891D+02  0.407783D+02
      6   0.117350D+02  0.509481D+01 -0.698835D+01  0.348735D+00 -0.618284D+01
                81            82            83            84            85 
      1  -0.405017D+02  0.526026D+02 -0.981664D+01 -0.137278D+02 -0.136145D+02
      2   0.251309D+02 -0.348782D+02 -0.821987D+01  0.165205D+02 -0.114867D+02
      3   0.153707D+02 -0.177244D+02  0.180365D+02 -0.279272D+01  0.251011D+02
      4   0.393659D+02 -0.597722D+01 -0.303179D+02  0.197128D+01 -0.378937D+02
      5  -0.164007D+00 -0.105561D+02  0.457405D+01 -0.175940D+02  0.869419D+01
      6  -0.649160D+01 -0.594361D+01 -0.115590D+00 -0.572902D+01  0.123957D+01
                86            87            88            89            90 
      1  -0.237414D+02 -0.104813D+01 -0.141195D+02 -0.206165D+01 -0.242182D+02
      2  -0.875932D+01 -0.751444D+00  0.183780D+02  0.544977D+01  0.289581D+02
      3   0.325007D+02  0.179958D+01 -0.425848D+01 -0.338812D+01 -0.473987D+01
      4  -0.394970D+02  0.156489D+02  0.408361D+01  0.266707D+02  0.148952D+02
      5   0.123794D+02  0.260514D+02 -0.252681D+02  0.221628D+02 -0.292212D+02
      6   0.645112D+01  0.105840D+02 -0.386925D+01  0.918633D+01 -0.313821D+01
                91            92            93            94            95 
      1   0.141283D+02 -0.471305D+01  0.176783D+00 -0.159332D+02 -0.197737D+02
      2  -0.114816D+02 -0.341785D+01 -0.285067D+01  0.295654D+01  0.414908D+01
      3  -0.264672D+01  0.813090D+01  0.267389D+01  0.129766D+02  0.156247D+02
      4  -0.207130D+02 -0.201483D+02 -0.543693D+01 -0.469754D+02  0.548348D+01
      5  -0.145369D+01 -0.449794D+01 -0.760208D+01 -0.481398D+01 -0.115763D+02
      6  -0.244541D+01 -0.941816D+00 -0.291257D+01 -0.370515D+01 -0.319659D+01
                96            97            98            99           100 
      1  -0.171876D+01 -0.119238D+02 -0.335262D+01 -0.241693D+01 -0.180699D+01
      2   0.102792D+01 -0.453807D+01 -0.637973D+00  0.120852D+02  0.297450D+01
      3   0.690839D+00  0.164619D+02  0.399059D+01 -0.966826D+01 -0.116752D+01
      4  -0.119092D+02 -0.104812D+02 -0.237341D+02  0.520784D+00  0.559233D+01
      5   0.152828D+00 -0.121790D+02  0.199969D+01  0.377379D+02 -0.173289D+02
      6   0.803353D+00 -0.239680D+01  0.201295D+01  0.337673D+01  0.488501D+01
               101           102           103           104           105 
      1   0.178890D+01 -0.847185D+01  0.913808D+01  0.800640D+01  0.439952D+01
      2  -0.668879D+00  0.883929D+01 -0.737035D+01 -0.462255D+01 -0.778933D+01
      3  -0.112002D+01 -0.367440D+00 -0.176774D+01 -0.338385D+01  0.338980D+01
      4   0.400328D+01  0.459751D+01  0.427973D+01 -0.150000D+02  0.116073D+02
      5   0.401046D+01 -0.588095D+01  0.136368D+01  0.110785D+02  0.102060D+02
      6  -0.346256D+01  0.585138D+01  0.386353D+01 -0.101731D+02 -0.800294D+01
               106           107           108           109           110 
      1  -0.245112D+02  0.503029D+01 -0.858981D+01  0.382350D+02 -0.535806D+01
      2   0.179573D+02 -0.534378D+01  0.115168D+02 -0.252189D+02  0.165504D+01
      3   0.655389D+01  0.313489D+00 -0.292700D+01 -0.130161D+02  0.370302D+01
      4   0.111997D+02  0.146693D+01  0.118512D+02 -0.132734D+02  0.140339D+02
      5  -0.238437D+02  0.975663D+01 -0.393294D+02  0.360239D+02 -0.407553D+01
      6   0.979753D+01 -0.126303D+02  0.139447D+02 -0.970074D+01  0.262826D+01
               111           112           113           114           115 
      1   0.264088D+02 -0.287402D+01  0.189274D+01  0.125339D+01  0.387655D+02
      2  -0.190683D+02 -0.115634D+01  0.191029D+01 -0.311795D+00 -0.256275D+02
      3  -0.734048D+01  0.403036D+01 -0.380303D+01 -0.941593D+00 -0.131381D+02
      4  -0.791378D+01  0.157415D+02 -0.548245D+01  0.134480D+02 -0.172859D+02
      5   0.267230D+02 -0.664524D+01  0.133290D+02 -0.979894D+01  0.440014D+02
      6  -0.620783D+01  0.500224D+01 -0.681352D+01  0.132440D+02 -0.111697D+02
               116           117           118           119           120 
      1  -0.464953D+00  0.983444D+01  0.830725D+00 -0.120375D+02 -0.978643D+01
      2  -0.246822D+01 -0.306258D+02 -0.963989D+00  0.143991D+02  0.418615D+01
      3   0.293317D+01  0.207913D+02  0.133264D+00 -0.236162D+01  0.560028D+01
      4   0.244923D+02 -0.123030D+02 -0.199007D+01 -0.428050D+01  0.722607D+01
      5  -0.108180D+02  0.734970D+02 -0.911953D+01  0.255151D+01  0.430482D+01
      6   0.130820D+02 -0.279086D+02  0.513233D+01 -0.358513D+00 -0.364376D+00
               121           122           123           124           125 
      1  -0.562077D+01 -0.973087D+01 -0.492428D+01 -0.107518D+02 -0.718340D+01
      2   0.111821D+02 -0.931045D+00  0.108797D+02 -0.281916D+00  0.204235D+02
      3  -0.556131D+01  0.106619D+02 -0.595545D+01  0.110337D+02 -0.132401D+02
      4  -0.262091D+01  0.226113D+02 -0.192246D+02  0.186170D+02 -0.369057D+02
      5   0.729727D+01 -0.191600D+02 -0.516417D+01  0.100212D+02 -0.135007D+02
      6  -0.471486D+01  0.185437D+02  0.101945D+02 -0.397351D+01  0.156416D+02
               126           127           128           129           130 
      1  -0.502557D+01  0.792128D+00  0.164764D+01 -0.373908D+01 -0.939376D+00
      2  -0.927121D+00 -0.664951D+01 -0.825118D+00 -0.592548D+01  0.154690D+01
      3   0.595269D+01  0.585738D+01 -0.822527D+00  0.966457D+01 -0.607521D+00
      4  -0.115596D+02 -0.586046D+01  0.408651D+01 -0.519761D+01  0.136413D+01
      5  -0.226870D+02  0.169565D+02 -0.284578D+01  0.171930D+02 -0.305713D+01
      6   0.170909D+02 -0.634921D+01  0.398287D+01 -0.690451D+01  0.204718D+01
               131           132           133           134           135 
      1  -0.182696D+01  0.194510D+01 -0.539961D+01  0.444918D+01 -0.207408D+02
      2  -0.374382D+00  0.102380D+01 -0.728374D+01 -0.658469D+00 -0.119867D+02
      3   0.220134D+01 -0.296889D+01  0.126834D+02 -0.379071D+01  0.327275D+02
      4  -0.190182D+01  0.252076D+01 -0.442255D+01  0.432961D+01 -0.668254D+01
      5   0.257877D+01 -0.399111D+01  0.179569D+02 -0.356503D+01  0.260796D+02
      6  -0.162450D+01  0.383001D+01 -0.708293D+01  0.768160D+01 -0.145567D+02
               136           137           138           139           140 
      1  -0.259471D+01 -0.246360D+00  0.563992D+01 -0.477857D+00 -0.179814D+01
      2  -0.566382D+01  0.159475D+00  0.586726D+01  0.386428D-01 -0.631842D+00
      3   0.825853D+01  0.868843D-01 -0.115072D+02  0.439215D+00  0.242998D+01
      4   0.274728D+01  0.221101D+01 -0.264724D+01  0.455975D+00 -0.513196D-01
      5  -0.115883D+02 -0.711924D+00  0.144673D+02  0.187334D-01 -0.160145D+01
      6  -0.293391D+01 -0.230571D+01  0.299211D+01 -0.653732D+00 -0.520587D+00
               141           142           143           144           145 
      1   0.933165D+00  0.829875D+01  0.274234D+01 -0.320323D+02  0.335140D+01
      2   0.159173D+00  0.642783D+01 -0.720694D+00 -0.163959D+02 -0.527543D+01
      3  -0.109234D+01 -0.147266D+02 -0.202165D+01  0.484282D+02  0.192403D+01
      4  -0.111592D+01 -0.289405D+01 -0.284818D+01  0.405397D+01  0.231332D+00
      5  -0.134299D+00  0.139143D+02  0.145841D+01 -0.229916D+02  0.113991D+02
      6   0.292604D+01  0.449204D+01  0.702116D+01 -0.121360D+02  0.153646D+01
               146           147           148           149           150 
      1  -0.717094D+00 -0.155908D+01 -0.888278D+00 -0.545543D+00  0.149400D+01
      2   0.695258D+00 -0.405762D+01  0.627148D+00 -0.730685D+00  0.687438D+00
      3   0.218362D-01  0.561670D+01  0.261130D+00  0.127623D+01 -0.218144D+01
      4   0.306912D+01  0.721867D+00  0.153421D+01 -0.122708D+01  0.804211D+00
      5  -0.108021D+01  0.103633D+02 -0.150895D+01  0.227163D+01 -0.212405D+01
      6   0.161609D+01  0.156483D+01  0.321154D+00 -0.942135D+00  0.106343D+01
               151           152           153           154           155 
      1  -0.394774D+01  0.100693D+01 -0.151820D+02 -0.198013D+00  0.118051D+01
      2  -0.554232D+01  0.964402D+00 -0.917174D+01 -0.507365D+01 -0.970393D+00
      3   0.949006D+01 -0.197133D+01  0.243538D+02  0.527166D+01 -0.210117D+00
      4   0.159078D+01  0.264244D+01  0.110657D+01 -0.170617D+01  0.202780D+01
      5   0.130829D+02 -0.110023D+01  0.176904D+02 -0.984040D+01  0.436253D+00
      6   0.217933D+01  0.421551D+01  0.370284D+01  0.335967D+01 -0.190684D+01
               156           157           158           159           160 
      1   0.244461D+01 -0.102777D+01 -0.187141D+01  0.106158D+01  0.383164D+01
      2   0.494425D+01  0.451388D+00 -0.395689D+00  0.758451D-01  0.675144D+01
      3  -0.738885D+01  0.576387D+00  0.226709D+01 -0.113743D+01 -0.105831D+02
      4   0.221944D+01  0.118092D+01 -0.588247D+00 -0.136468D+01  0.163970D+01
      5   0.120045D+02  0.469747D+00 -0.212061D+01 -0.749872D+00  0.132772D+02
      6  -0.404036D+01 -0.134170D+01  0.182132D+00  0.226776D+01 -0.384258D+01
               161           162           163           164           165 
      1  -0.159661D+01 -0.244527D+02  0.119020D+02 -0.537678D+01 -0.685304D+01
      2   0.101056D+01 -0.132454D+02 -0.406729D+01  0.763099D+00  0.282148D+01
      3   0.586047D+00  0.376980D+02 -0.783467D+01  0.461368D+01  0.403156D+01
      4  -0.263821D+01 -0.287084D+01 -0.125482D+02  0.155750D+02  0.667927D+01
      5  -0.346248D+00 -0.210318D+02 -0.116989D+02  0.516807D+01  0.907517D+01
      6   0.576959D+01  0.105202D+02  0.546788D+01 -0.241213D+01 -0.285384D+01
               166           167           168           169           170 
      1  -0.301553D+01 -0.342260D+01 -0.377369D+01 -0.200664D+02 -0.580133D+01
      2  -0.286532D+01  0.131044D+02  0.606631D+01  0.867023D+01  0.671029D+01
      3   0.588085D+01 -0.968182D+01 -0.229262D+01  0.113962D+02 -0.908957D+00
      4   0.235101D+02 -0.320583D+02 -0.178383D+02  0.145017D+02 -0.243087D+02
      5   0.797850D+01 -0.162834D+02 -0.130661D+02  0.198355D+02 -0.184285D+02
      6  -0.592921D+01  0.130781D+02  0.107977D+02 -0.941462D+01  0.128854D+02
               171           172           173           174           175 
      1   0.110520D+00  0.167926D+02 -0.439929D+01  0.965096D+01  0.112956D+00
      2  -0.900095D+00 -0.837748D+01  0.144172D+00 -0.477626D+01 -0.249868D+01
      3   0.789575D+00 -0.841511D+01  0.425511D+01 -0.487469D+01  0.238573D+01
      4  -0.213745D+02 -0.122146D+02  0.143031D+02 -0.864025D+01  0.144906D+02
      5  -0.210265D+02  0.162229D+02 -0.681464D+01  0.131793D+02 -0.590302D+01
      6   0.124893D+02 -0.540537D+01  0.261111D+01 -0.352765D+01  0.395181D+01
               176           177           178           179           180 
      1   0.162712D+01  0.733492D+00  0.199820D+02  0.517868D+00  0.191181D+01
      2   0.334644D+01 -0.230246D+01 -0.993414D+01 -0.268412D+01 -0.329112D+01
      3  -0.497355D+01  0.156897D+01 -0.100478D+02  0.216625D+01  0.137930D+01
      4  -0.161573D+02  0.950872D+01 -0.135903D+02  0.163581D+02 -0.185406D+02
      5   0.898042D+01 -0.930324D+01  0.185362D+02 -0.162441D+02  0.275849D+02
      6  -0.584244D+01  0.792400D+01 -0.694205D+01  0.936211D+01 -0.106708D+02
               181           182           183           184           185 
      1  -0.107899D+02  0.389019D+01 -0.163280D+02  0.271754D+01 -0.158145D+02
      2   0.289539D+01 -0.200482D+01  0.574614D+01 -0.200888D+01  0.902872D+01
      3   0.789449D+01 -0.188537D+01  0.105819D+02 -0.708663D+00  0.678575D+01
      4  -0.152138D+01 -0.480573D+01  0.819890D+00 -0.288719D+01  0.745983D+01
      5  -0.899605D+01  0.128662D+01 -0.492439D+01  0.107217D+01 -0.594053D+01
      6  -0.496692D+01  0.181014D+01 -0.474976D+01  0.205783D+01 -0.609200D+01
               186           187           188           189           190 
      1   0.894310D+01 -0.259987D+02  0.849434D+01 -0.264982D+02  0.115720D+02
      2  -0.416491D+01  0.103492D+02 -0.181940D+01  0.608192D+00 -0.829181D+01
      3  -0.477819D+01  0.156494D+02 -0.667494D+01  0.258900D+02 -0.328016D+01
      4  -0.567368D+01  0.149775D+00 -0.728451D+01  0.104243D+02 -0.109329D+02
      5   0.134702D+02 -0.288774D+01  0.119850D+02 -0.332261D+02 -0.142957D+02
      6   0.103993D+02 -0.317082D+01  0.813374D+01 -0.142592D+02  0.298218D+01
               191           192           193           194           195 
      1  -0.109495D+02 -0.120398D+02 -0.232184D+02  0.129673D+02  0.636629D+01
      2   0.650678D+01  0.798549D+01  0.146119D+02 -0.795067D+01 -0.942917D+01
      3   0.444268D+01  0.405433D+01  0.860648D+01 -0.501663D+01  0.306288D+01
      4   0.114001D+02  0.627384D+01  0.233590D+02 -0.314934D+02 -0.274722D+02
      5   0.733248D+01  0.166723D+02  0.168300D+02 -0.284708D+02 -0.334985D+02
      6  -0.193670D+01 -0.136563D+01 -0.473205D+01  0.855175D+01  0.870498D+01
               196           197           198           199           200 
      1  -0.243685D+02  0.402235D+01  0.151862D+02  0.498347D+02 -0.114949D+02
      2   0.181896D+02 -0.778387D+01 -0.226344D+02 -0.245453D+02  0.560374D+01
      3   0.617892D+01  0.376152D+01  0.744823D+01 -0.252894D+02  0.589113D+01
      4   0.115653D+02 -0.277203D+02 -0.283228D+02 -0.103897D+02  0.146869D+02
      5   0.340636D+02 -0.296800D+02 -0.533114D+02  0.239080D+02 -0.771493D+01
      6  -0.293821D+01  0.868931D+01  0.809051D+01 -0.616903D+00 -0.659499D+00
               201           202           203           204           205 
      1   0.256987D+02 -0.212720D+02  0.180137D+02 -0.105116D+02  0.562669D+02
      2  -0.119669D+02  0.105229D+02 -0.752717D+01  0.359901D+01 -0.284972D+02
      3  -0.137317D+02  0.107491D+02 -0.104866D+02  0.691257D+01 -0.277697D+02
      4  -0.767282D+01  0.219201D+02 -0.129493D+02  0.796122D+01 -0.122772D+02
      5   0.222140D+02 -0.104329D+02  0.758609D+01 -0.172231D+02  0.340271D+02
      6   0.231260D+00 -0.256567D+00 -0.149883D+01  0.291863D+01 -0.625655D-01
               206           207           208           209           210 
      1  -0.125196D+02  0.296863D+02  0.514260D+02  0.299246D+02 -0.981018D+01
      2   0.499229D+01 -0.172376D+02 -0.225532D+02 -0.124312D+02  0.568254D+01
      3   0.752732D+01 -0.124488D+02 -0.288728D+02 -0.174935D+02  0.412763D+01
      4   0.145235D+02 -0.157076D+02  0.372026D+02  0.329519D+02 -0.104697D+02
      5  -0.161776D+02  0.434074D+02 -0.159059D+02 -0.118892D+02  0.145272D+02
      6   0.257413D+01  0.327230D+00 -0.660273D+01 -0.511445D+01  0.319306D+01
               211           212           213           214           215 
      1   0.577632D+02  0.328842D+02 -0.128751D+02 -0.113440D+02 -0.789879D+01
      2  -0.230946D+02 -0.620210D+01  0.625280D+01  0.722330D+01  0.356426D+01
      3  -0.346685D+02 -0.266821D+02  0.662231D+01  0.412075D+01  0.433453D+01
      4   0.554049D+02  0.650637D+02 -0.194782D+02 -0.130762D+02 -0.163401D+02
      5  -0.228150D+02 -0.207002D+02  0.157966D+02  0.230310D+02  0.101315D+02
      6  -0.100287D+02 -0.123834D+02  0.838635D+01  0.531671D+01  0.763256D+01
               216           217           218           219           220 
      1   0.140242D+02  0.113620D+02 -0.136034D+01  0.128383D+02 -0.694420D+01
      2  -0.860748D+01 -0.101166D+02  0.385702D+01 -0.134059D+02  0.721517D+01
      3  -0.541670D+01 -0.124534D+01 -0.249668D+01  0.567613D+00 -0.270971D+00
      4   0.961126D+01  0.322100D+01  0.887371D+01  0.314842D+01  0.579124D+01
      5  -0.143851D+02  0.197647D+02 -0.121236D+00  0.237503D+02 -0.674438D+01
      6  -0.440147D+01  0.386760D+01  0.210171D+01  0.512649D+01  0.730921D+00
               221           222           223           224           225 
      1   0.388570D+01 -0.286141D+01  0.154253D+02 -0.222324D+01  0.377114D+01
      2  -0.260321D+01  0.713200D+01 -0.160550D+02  0.502251D+01 -0.249978D+02
      3  -0.128250D+01 -0.427059D+01  0.629728D+00 -0.279927D+01  0.212266D+02
      4  -0.103798D+01  0.448920D+01  0.468603D+01  0.754476D+01  0.217381D+01
      5   0.638501D+01 -0.152374D+02  0.249090D+02 -0.166213D+01  0.544946D+02
      6  -0.153204D+01  0.503979D+00  0.572394D+01  0.438347D+01  0.141700D+02
               226           227           228           229           230 
      1  -0.568188D+02  0.132423D+02  0.120473D+02  0.687683D+01 -0.116030D+02
      2   0.315938D+02 -0.117934D+02 -0.678782D+01 -0.568605D+01  0.110903D+02
      3   0.252250D+02 -0.144885D+01 -0.525946D+01 -0.119078D+01  0.512659D+00
      4  -0.153218D+02 -0.340475D+01 -0.122482D+01  0.835521D+00  0.330550D+01
      5  -0.134926D+01 -0.364994D+01 -0.300815D+01 -0.166059D+01 -0.817027D+00
      6   0.346298D+01 -0.500542D+01 -0.493958D+01 -0.398208D+01  0.178254D+01
               231           232           233           234           235 
      1  -0.420415D+01  0.967009D+01 -0.307945D+01 -0.665460D+01  0.130503D+02
      2   0.267596D+01 -0.524541D+01  0.120094D+01  0.516715D+00  0.333958D+01
      3   0.152819D+01 -0.442468D+01  0.187852D+01  0.613788D+01 -0.163899D+02
      4  -0.132433D+01  0.744961D+00 -0.289742D+01 -0.154771D+01  0.282851D+02
      5  -0.236134D+01  0.154503D+01 -0.612165D+00  0.499283D+01  0.210204D+01
      6   0.158658D+01 -0.385276D+01  0.257316D+01  0.321257D+01  0.171252D+01
               236           237           238           239           240 
      1   0.130919D+02 -0.560893D+00  0.131120D+02 -0.232591D+01 -0.120235D+01
      2   0.680497D+01 -0.142381D+01  0.975145D+01  0.404190D+02 -0.112770D+01
      3  -0.198969D+02  0.198470D+01 -0.228634D+02 -0.380931D+02  0.233005D+01
      4   0.343113D+02 -0.618548D-01  0.398960D+02  0.730322D+02 -0.157606D+01
      5   0.222374D+01  0.771286D+01  0.164692D+01  0.169103D+01  0.657135D+01
      6   0.224844D+01  0.381488D+01  0.180432D+01  0.496215D+01  0.684256D+01
               241           242           243           244           245 
      1  -0.458548D+01 -0.553500D+00  0.309794D+01  0.200340D+01  0.106584D+01
      2  -0.152184D+01 -0.646791D+01  0.289964D+00 -0.620200D+01  0.157580D+00
      3   0.610733D+01  0.702141D+01 -0.338791D+01  0.419859D+01 -0.122342D+01
      4  -0.757724D+01 -0.143804D+02  0.767429D+01  0.221017D+01  0.535638D+01
      5   0.801083D+01  0.600080D+01 -0.107263D+01 -0.148329D+02  0.856162D+00
      6   0.414512D+01  0.660360D+01 -0.211545D+01 -0.112807D+01 -0.228709D+00
               246           247           248           249           250 
      1  -0.840954D+01  0.127139D+01  0.142972D+01  0.203357D+00 -0.102478D+02
      2   0.701962D+01  0.360901D+00 -0.165587D+01 -0.130894D+01  0.106515D+02
      3   0.138992D+01 -0.163230D+01  0.226149D+00  0.110558D+01 -0.403700D+00
      4  -0.356494D+00  0.882657D+01 -0.119648D+01 -0.491696D+01 -0.163011D+01
      5   0.139812D+02  0.660676D+00 -0.549300D+01 -0.985055D-01  0.197886D+02
      6   0.995575D+00 -0.134527D+01 -0.575289D+00  0.525230D+01  0.945326D+00
               251           252           253           254           255 
      1   0.443813D+00 -0.402585D+01 -0.912847D+02 -0.996219D+01  0.913768D+01
      2  -0.856093D+00 -0.176559D+02  0.500729D+02  0.157298D+02 -0.644374D+01
      3   0.412280D+00  0.216817D+02  0.412118D+02 -0.576758D+01 -0.269393D+01
      4  -0.807949D+01  0.869667D+00 -0.166888D+02  0.276345D+02  0.354815D+01
      5  -0.556958D+00 -0.465437D+02  0.126676D+02  0.567497D+00  0.945491D+01
      6   0.391463D+01 -0.440224D+01  0.675099D+01  0.121449D+00  0.521808D+01
               256           257           258           259           260 
      1   0.171281D+02  0.354085D+02 -0.568906D+01  0.197672D+02 -0.525632D+01
      2   0.373588D+01 -0.268578D+02  0.119527D+02 -0.580589D+01  0.159355D+02
      3  -0.208640D+02 -0.855066D+01 -0.626361D+01 -0.139613D+02 -0.106792D+02
      4   0.414264D+02  0.814044D+00  0.186165D+02  0.129773D+02  0.259945D+02
      5   0.467053D+01  0.205243D+02 -0.491794D+01  0.118286D+02 -0.810674D+01
      6   0.382865D+01  0.144785D+02 -0.213577D+01  0.514860D+01 -0.402897D+01
               261           262           263           264           265 
      1   0.181908D+02  0.465566D+01 -0.706517D+01  0.587912D+00 -0.418934D+01
      2  -0.668905D+01  0.380737D+01 -0.369568D+01  0.276933D+00 -0.805478D+01
      3  -0.115017D+02 -0.846303D+01  0.107608D+02 -0.864846D+00  0.122441D+02
      4  -0.295646D+01 -0.139424D+02  0.202281D+02 -0.139594D+01  0.234972D+02
      5  -0.302632D+02 -0.436075D+00 -0.225319D+00  0.238268D+01 -0.415736D+00
      6  -0.144907D+02 -0.404139D+00  0.283574D+00 -0.765428D+00  0.647027D+00
               266           267           268           269           270 
      1  -0.104034D+02 -0.870623D-01  0.184393D+01  0.269740D+01 -0.128619D+01
      2   0.388495D+02 -0.232411D+01  0.371869D+01 -0.145547D+02  0.425262D+01
      3  -0.284461D+02  0.241117D+01 -0.556262D+01  0.118573D+02 -0.296643D+01
      4  -0.590964D+02  0.284147D+01 -0.103758D+02  0.247847D+02 -0.727709D+01
      5   0.100529D+01 -0.726993D+01  0.329862D+01 -0.646436D+01  0.267604D+01
      6  -0.123625D+01  0.520103D+01 -0.265909D+01  0.741664D+01 -0.283717D+01
               271           272           273           274           275 
      1   0.629236D+01  0.304372D+01  0.601292D+01 -0.196127D+01 -0.773713D+01
      2  -0.562848D+01 -0.352423D+01 -0.243368D+01 -0.707758D-01  0.562133D+01
      3  -0.663878D+00  0.480510D+00 -0.357924D+01  0.203204D+01  0.211580D+01
      4   0.113627D+01 -0.348988D+01  0.112361D+01 -0.186210D+01  0.135553D+01
      5   0.396991D+01 -0.445354D+00  0.330955D-01  0.719887D+00  0.440746D+01
      6   0.203410D+01 -0.107252D+01 -0.152211D+01  0.107841D+00  0.261640D+01
               276           277           278           279           280 
      1  -0.251188D+01  0.119256D+02 -0.305982D+01 -0.130949D+02  0.134613D+03
      2   0.169105D+01 -0.560307D+01  0.347193D+01 -0.308544D+01 -0.639764D+02
      3   0.820825D+00 -0.632256D+01 -0.412112D+00  0.161803D+02 -0.706366D+02
      4   0.427417D+01  0.892457D+01  0.123329D+02  0.860207D+01  0.498140D+02
      5   0.548761D+01  0.750926D+01  0.101104D+02  0.423028D+02 -0.552949D+01
      6   0.673271D+01  0.191836D+01  0.942577D+01  0.233449D+02 -0.243989D+01
               281           282           283           284           285 
      1   0.124817D+02 -0.566640D+01 -0.684061D+01  0.775427D+01  0.958779D+00
      2  -0.146723D+01  0.314000D+01  0.657277D+01 -0.144480D+01 -0.178599D+01
      3  -0.110145D+02  0.252640D+01  0.267848D+00 -0.630947D+01  0.827211D+00
      4   0.204603D+02 -0.110208D+01  0.121349D+02  0.420149D+01 -0.244633D+01
      5  -0.125244D+00  0.129060D+02 -0.597417D-01 -0.276756D+01 -0.486806D-01
      6   0.288241D+00  0.378957D+01 -0.971401D-01 -0.128900D+01  0.842861D+00
               286           287           288           289           290 
      1  -0.129168D+02 -0.566385D+00  0.976580D+01  0.686903D+00  0.141788D+02
      2   0.634361D+01 -0.171026D+01 -0.607233D+01  0.253451D+01 -0.148089D+02
      3   0.657322D+01  0.227665D+01 -0.369347D+01 -0.322141D+01  0.630038D+00
      4  -0.607106D+01 -0.517179D+01  0.467724D+01  0.379516D+01 -0.763487D+01
      5   0.159260D+02  0.271285D+01 -0.646762D+00 -0.349834D+01  0.160200D+01
      6   0.423201D+01  0.208910D+01  0.526175D+00 -0.266741D+01  0.206299D+01
               291           292           293           294           295 
      1  -0.525298D+01  0.927381D+01 -0.312368D+02  0.713833D+01 -0.807527D+01
      2   0.389102D+01 -0.470938D+01  0.487876D+02 -0.102832D+02  0.300961D+01
      3   0.136196D+01 -0.456443D+01 -0.175508D+02  0.314485D+01  0.506566D+01
      4  -0.449667D+00  0.726761D+01  0.453544D+02 -0.108754D+02 -0.638008D+01
      5  -0.281533D+01 -0.606535D+00 -0.133189D+02  0.951772D+01  0.903203D+00
      6  -0.303889D+01 -0.365722D+00 -0.108705D+02  0.894642D+01 -0.230115D+00
               296           297 
      1   0.922610D+01 -0.912136D+01
      2  -0.144092D+02  0.792142D+01
      3   0.518308D+01  0.119995D+01
      4  -0.193451D+02  0.899102D+01
      5   0.111973D+02 -0.577467D+01
      6   0.109527D+02 -0.630159D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:27:30 2021, MaxMem=  6442450944 cpu:          129295.1 elap:           16186.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52625 -19.47329 -10.58116 -10.46357 -10.45590
 Alpha  occ. eigenvalues --  -10.44939 -10.44471 -10.44297 -10.44202 -10.44191
 Alpha  occ. eigenvalues --  -10.44059 -10.43509 -10.43354 -10.42408 -10.42012
 Alpha  occ. eigenvalues --   -1.25937  -1.15944  -1.01714  -0.96882  -0.94193
 Alpha  occ. eigenvalues --   -0.88896  -0.88465  -0.82150  -0.81927  -0.80475
 Alpha  occ. eigenvalues --   -0.74438  -0.73218  -0.69853  -0.68692  -0.63712
 Alpha  occ. eigenvalues --   -0.63125  -0.61649  -0.59148  -0.58466  -0.56851
 Alpha  occ. eigenvalues --   -0.56342  -0.55702  -0.54165  -0.53564  -0.53032
 Alpha  occ. eigenvalues --   -0.52483  -0.50037  -0.49411  -0.48764  -0.48079
 Alpha  occ. eigenvalues --   -0.47848  -0.46708  -0.44890  -0.44582  -0.44198
 Alpha  occ. eigenvalues --   -0.43441  -0.42626  -0.42194  -0.39803  -0.35459
 Alpha  occ. eigenvalues --   -0.33572
 Alpha virt. eigenvalues --   -0.01346  -0.00825  -0.00574  -0.00288   0.00434
 Alpha virt. eigenvalues --    0.00580   0.00950   0.01599   0.02048   0.02252
 Alpha virt. eigenvalues --    0.02660   0.02820   0.03082   0.04207   0.04425
 Alpha virt. eigenvalues --    0.04821   0.05149   0.05475   0.05854   0.06071
 Alpha virt. eigenvalues --    0.06684   0.07707   0.07868   0.08466   0.08664
 Alpha virt. eigenvalues --    0.08954   0.09255   0.09584   0.10232   0.10409
 Alpha virt. eigenvalues --    0.11161   0.11272   0.11458   0.11661   0.11944
 Alpha virt. eigenvalues --    0.12493   0.12649   0.12968   0.13234   0.13362
 Alpha virt. eigenvalues --    0.13672   0.13867   0.14221   0.14835   0.15305
 Alpha virt. eigenvalues --    0.15404   0.15679   0.15951   0.16400   0.16675
 Alpha virt. eigenvalues --    0.17357   0.17680   0.17983   0.18172   0.18682
 Alpha virt. eigenvalues --    0.19219   0.19883   0.20198   0.20554   0.21151
 Alpha virt. eigenvalues --    0.21600   0.22312   0.22615   0.23128   0.23402
 Alpha virt. eigenvalues --    0.24172   0.24361   0.24708   0.25200   0.25801
 Alpha virt. eigenvalues --    0.26441   0.26686   0.26805   0.26938   0.27621
 Alpha virt. eigenvalues --    0.27663   0.28107   0.28724   0.28884   0.29005
 Alpha virt. eigenvalues --    0.29378   0.29807   0.30411   0.30912   0.31088
 Alpha virt. eigenvalues --    0.31353   0.31859   0.32178   0.32559   0.32971
 Alpha virt. eigenvalues --    0.33495   0.33752   0.34182   0.34508   0.35102
 Alpha virt. eigenvalues --    0.35242   0.36054   0.36375   0.37048   0.37761
 Alpha virt. eigenvalues --    0.37980   0.38921   0.39453   0.39671   0.39978
 Alpha virt. eigenvalues --    0.40261   0.40460   0.41217   0.41347   0.42033
 Alpha virt. eigenvalues --    0.42077   0.42193   0.42643   0.43086   0.43360
 Alpha virt. eigenvalues --    0.43874   0.44103   0.44889   0.45264   0.45528
 Alpha virt. eigenvalues --    0.45753   0.46142   0.46587   0.47486   0.47952
 Alpha virt. eigenvalues --    0.48293   0.48838   0.49304   0.49666   0.50188
 Alpha virt. eigenvalues --    0.50234   0.50948   0.51184   0.51618   0.51951
 Alpha virt. eigenvalues --    0.52346   0.52885   0.53264   0.54150   0.54327
 Alpha virt. eigenvalues --    0.54722   0.55060   0.55948   0.56016   0.56603
 Alpha virt. eigenvalues --    0.56978   0.57179   0.57688   0.58427   0.58466
 Alpha virt. eigenvalues --    0.58859   0.59043   0.59818   0.60257   0.60807
 Alpha virt. eigenvalues --    0.60908   0.61451   0.61727   0.62075   0.62679
 Alpha virt. eigenvalues --    0.63040   0.63282   0.63608   0.64104   0.64660
 Alpha virt. eigenvalues --    0.65035   0.65714   0.65901   0.66189   0.66789
 Alpha virt. eigenvalues --    0.67100   0.67267   0.67791   0.68533   0.68952
 Alpha virt. eigenvalues --    0.69749   0.69866   0.70484   0.70810   0.71117
 Alpha virt. eigenvalues --    0.71297   0.71886   0.72330   0.72852   0.73481
 Alpha virt. eigenvalues --    0.73603   0.74243   0.74831   0.75215   0.75754
 Alpha virt. eigenvalues --    0.75985   0.76300   0.76588   0.77728   0.78109
 Alpha virt. eigenvalues --    0.78380   0.78846   0.79249   0.79858   0.80571
 Alpha virt. eigenvalues --    0.81403   0.81468   0.81756   0.82855   0.83540
 Alpha virt. eigenvalues --    0.84168   0.84690   0.85123   0.85764   0.85877
 Alpha virt. eigenvalues --    0.86533   0.87136   0.87347   0.88323   0.88694
 Alpha virt. eigenvalues --    0.88789   0.89609   0.90128   0.90977   0.91911
 Alpha virt. eigenvalues --    0.92093   0.92776   0.93699   0.94446   0.94707
 Alpha virt. eigenvalues --    0.94987   0.95514   0.96275   0.97362   0.98724
 Alpha virt. eigenvalues --    1.00059   1.00306   1.01496   1.01616   1.02171
 Alpha virt. eigenvalues --    1.04383   1.04565   1.05825   1.06462   1.07208
 Alpha virt. eigenvalues --    1.07726   1.08910   1.09195   1.10214   1.11447
 Alpha virt. eigenvalues --    1.12170   1.12995   1.13931   1.15607   1.15886
 Alpha virt. eigenvalues --    1.16642   1.17156   1.17969   1.19005   1.20052
 Alpha virt. eigenvalues --    1.20675   1.21832   1.23088   1.23264   1.24481
 Alpha virt. eigenvalues --    1.24633   1.25500   1.27068   1.27710   1.29364
 Alpha virt. eigenvalues --    1.29974   1.32051   1.32398   1.34578   1.36278
 Alpha virt. eigenvalues --    1.38231   1.38854   1.39318   1.40391   1.42311
 Alpha virt. eigenvalues --    1.43196   1.44436   1.44594   1.45333   1.46535
 Alpha virt. eigenvalues --    1.47636   1.48357   1.49846   1.51603   1.52785
 Alpha virt. eigenvalues --    1.53063   1.53800   1.54605   1.55180   1.55695
 Alpha virt. eigenvalues --    1.55883   1.56428   1.58118   1.58962   1.60607
 Alpha virt. eigenvalues --    1.61689   1.62178   1.63216   1.64145   1.65071
 Alpha virt. eigenvalues --    1.65761   1.66407   1.67698   1.68251   1.68744
 Alpha virt. eigenvalues --    1.69703   1.71510   1.71860   1.72544   1.72885
 Alpha virt. eigenvalues --    1.74761   1.75684   1.76412   1.77421   1.77498
 Alpha virt. eigenvalues --    1.78439   1.78804   1.80096   1.80759   1.81219
 Alpha virt. eigenvalues --    1.81592   1.82565   1.84327   1.84649   1.85861
 Alpha virt. eigenvalues --    1.86349   1.86819   1.88724   1.89611   1.90025
 Alpha virt. eigenvalues --    1.90526   1.91475   1.92454   1.93878   1.94852
 Alpha virt. eigenvalues --    1.95627   1.96304   1.96773   1.97294   1.97965
 Alpha virt. eigenvalues --    1.98562   1.99652   2.00516   2.00874   2.01128
 Alpha virt. eigenvalues --    2.02913   2.03611   2.04097   2.04817   2.05547
 Alpha virt. eigenvalues --    2.06711   2.07164   2.07919   2.09075   2.10551
 Alpha virt. eigenvalues --    2.11062   2.12063   2.12404   2.13840   2.14490
 Alpha virt. eigenvalues --    2.15558   2.16094   2.17312   2.18330   2.18676
 Alpha virt. eigenvalues --    2.20006   2.20155   2.21364   2.22025   2.23609
 Alpha virt. eigenvalues --    2.23991   2.24204   2.25600   2.27606   2.28673
 Alpha virt. eigenvalues --    2.29203   2.30508   2.31376   2.31778   2.33068
 Alpha virt. eigenvalues --    2.34761   2.34818   2.36263   2.37357   2.37574
 Alpha virt. eigenvalues --    2.38701   2.39654   2.40195   2.43464   2.44322
 Alpha virt. eigenvalues --    2.44533   2.46162   2.47481   2.48817   2.52638
 Alpha virt. eigenvalues --    2.53337   2.54226   2.54718   2.55472   2.57528
 Alpha virt. eigenvalues --    2.58654   2.60191   2.61101   2.62248   2.63887
 Alpha virt. eigenvalues --    2.65121   2.65709   2.65974   2.67910   2.70084
 Alpha virt. eigenvalues --    2.72805   2.74149   2.75950   2.77222   2.78487
 Alpha virt. eigenvalues --    2.81098   2.81833   2.84716   2.86990   2.88220
 Alpha virt. eigenvalues --    2.88810   2.91548   2.93852   2.95500   2.96899
 Alpha virt. eigenvalues --    3.01563   3.08776   3.12177   3.12763   3.13968
 Alpha virt. eigenvalues --    3.17154   3.24030   3.30447   3.38584   3.43538
 Alpha virt. eigenvalues --    3.45126   3.47134   3.50314   3.51512   3.54736
 Alpha virt. eigenvalues --    3.55951   3.59044   3.65010   3.66208   3.75946
 Alpha virt. eigenvalues --    3.78164   3.86609   3.92444   4.06391   4.80872
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   30.670954  -4.483131  -2.000599  -4.621440  -3.098677  -9.635165
     2  C   -4.483131  33.393591  -4.359960  -8.214077   2.279689 -13.069434
     3  C   -2.000599  -4.359960  32.173994  -5.375210 -10.408619  -3.038020
     4  C   -4.621440  -8.214077  -5.375210  36.156859 -11.293675   1.867593
     5  C   -3.098677   2.279689 -10.408619 -11.293675  45.720586 -10.727967
     6  C   -9.635165 -13.069434  -3.038020   1.867593 -10.727967  46.271343
     7  C    0.159565  -2.893582  -0.719208  -0.941241  -0.542776  -2.038703
     8  C   -0.217065   0.222094  -0.009171  -0.318341  -0.121426  -0.530101
     9  C    0.023225   0.008452   0.051748   0.016889   0.015343  -0.212797
    10  C    0.331045  -0.061252   0.190318  -0.072952   0.082243  -0.635596
    11  C   -0.072235  -0.355953   0.653332  -6.177634  -1.449047   0.312296
    12  C   -0.174239  -0.019373  -0.242773   1.331207  -1.418370  -0.135270
    13  O    0.004299  -0.002473  -0.024535  -0.164668   0.226543  -0.041712
    14  O    0.022373   0.019023  -0.016613  -0.116151   0.133959  -0.037371
    15  H   -2.910564   1.192953   0.732122   0.312270  -0.334748   0.366395
    16  H    0.883617   0.186612  -2.897305   0.990744   0.404949  -0.357244
    17  H   -0.151106  -0.983487   0.774887   2.428443  -4.902215   1.196734
    18  H    0.869946   3.003990  -0.080827  -1.252147   1.074606  -4.498289
    19  H   -0.543926   0.032795  -0.304199   0.238081   0.322485   1.151079
    20  H    0.945764  -0.430691   0.601128  -0.014162  -0.118074  -1.034845
    21  H    0.044918  -0.147518   0.005805   0.132523   0.100324   0.291045
    22  H    0.081189   0.225237   0.021616  -0.002762   0.008417  -0.156993
    23  H   -0.061998   0.150697  -0.005712   0.014900  -0.003587   0.111586
    24  H   -0.013703  -0.149677  -0.005102  -0.009093  -0.002402  -0.018549
    25  H    0.220672  -0.125985   0.135039   0.007135   0.024859  -0.129414
    26  H   -0.042235   0.079054  -0.241314   0.096221  -0.012186   0.227935
    27  H   -0.028565   0.043115   0.036183  -0.008940   0.005146  -0.042648
    28  H    0.032130  -0.012216  -0.013195   0.903938  -0.208481  -0.090759
    29  C   -0.077750  -0.220935   0.321762  -0.422038  -0.807232  -0.046483
    30  H   -0.003893  -0.002621  -0.006007   0.048356  -0.035842   0.002623
    31  H    0.037006  -0.104374   0.204987   0.097742  -0.490116  -0.040687
    32  H   -0.049686   0.063963  -0.318065   0.940529   0.239791   0.002916
    33  H    0.043186  -0.047711   0.177069  -0.789803   0.121005  -0.031508
               7          8          9         10         11         12
     1  C    0.159565  -0.217065   0.023225   0.331045  -0.072235  -0.174239
     2  C   -2.893582   0.222094   0.008452  -0.061252  -0.355953  -0.019373
     3  C   -0.719208  -0.009171   0.051748   0.190318   0.653332  -0.242773
     4  C   -0.941241  -0.318341   0.016889  -0.072952  -6.177634   1.331207
     5  C   -0.542776  -0.121426   0.015343   0.082243  -1.449047  -1.418370
     6  C   -2.038703  -0.530101  -0.212797  -0.635596   0.312296  -0.135270
     7  C   15.413361  -0.497694   0.170949   0.152221  -0.467312  -0.016304
     8  C   -0.497694  10.941043  -0.495344  -0.834042   0.041916  -0.010325
     9  C    0.170949  -0.495344   5.427225  -0.175697  -0.004249   0.001434
    10  C    0.152221  -0.834042  -0.175697   5.168871  -0.038547   0.001879
    11  C   -0.467312   0.041916  -0.004249  -0.038547  17.458600  -3.107199
    12  C   -0.016304  -0.010325   0.001434   0.001879  -3.107199   8.589230
    13  O   -0.002650   0.000396   0.000013  -0.000016   0.010340   0.516827
    14  O   -0.000316   0.001453   0.000075  -0.000115   0.078321   0.080711
    15  H   -0.372803  -0.016566   0.031415  -0.037378   0.162432   0.008428
    16  H    0.136627   0.004995  -0.001129   0.005342  -0.022918  -0.039400
    17  H    0.107756  -0.002166  -0.001022   0.000419   0.175513   0.120140
    18  H   -0.151697   0.079725   0.027418   0.016397  -0.043459   0.008857
    19  H   -1.517606   0.038429  -0.023729   0.017266   0.003652  -0.000521
    20  H   -0.800516   0.044761  -0.146699   0.079374  -0.021247  -0.001582
    21  H   -0.254098  -2.233459  -0.113372   0.325257   0.009576   0.002087
    22  H   -0.247709   0.348156   0.048154  -0.026216   0.000387   0.000092
    23  H   -0.083957  -0.427140   0.423782  -0.059628   0.001639   0.000225
    24  H    0.144982   0.307497   0.038364   0.042572  -0.001303  -0.000151
    25  H   -0.340516  -0.081785  -0.101406   0.263790  -0.000715   0.000464
    26  H   -0.283841   0.377511  -0.108604   0.125144  -0.001477  -0.003916
    27  H    0.132001  -0.089431   0.111522   0.052135  -0.000786   0.001463
    28  H   -0.008195   0.003652  -0.000019  -0.001100  -1.842852   0.259678
    29  C   -0.089501  -0.006896  -0.000129  -0.001872   0.205778   0.311809
    30  H    0.000054   0.000138  -0.000011  -0.000323   0.033476  -0.095335
    31  H   -0.011584  -0.000023  -0.000082  -0.000944  -0.344348   0.110046
    32  H    0.003295  -0.000751  -0.000054   0.000210  -0.514365  -0.000265
    33  H   -0.021745  -0.000028   0.000095  -0.000204   0.716924  -0.117730
              13         14         15         16         17         18
     1  C    0.004299   0.022373  -2.910564   0.883617  -0.151106   0.869946
     2  C   -0.002473   0.019023   1.192953   0.186612  -0.983487   3.003990
     3  C   -0.024535  -0.016613   0.732122  -2.897305   0.774887  -0.080827
     4  C   -0.164668  -0.116151   0.312270   0.990744   2.428443  -1.252147
     5  C    0.226543   0.133959  -0.334748   0.404949  -4.902215   1.074606
     6  C   -0.041712  -0.037371   0.366395  -0.357244   1.196734  -4.498289
     7  C   -0.002650  -0.000316  -0.372803   0.136627   0.107756  -0.151697
     8  C    0.000396   0.001453  -0.016566   0.004995  -0.002166   0.079725
     9  C    0.000013   0.000075   0.031415  -0.001129  -0.001022   0.027418
    10  C   -0.000016  -0.000115  -0.037378   0.005342   0.000419   0.016397
    11  C    0.010340   0.078321   0.162432  -0.022918   0.175513  -0.043459
    12  C    0.516827   0.080711   0.008428  -0.039400   0.120140   0.008857
    13  O    7.742887  -0.013145  -0.000184   0.002892  -0.053861  -0.001115
    14  O   -0.013145   7.945610   0.000497   0.011727  -0.007484  -0.001604
    15  H   -0.000184   0.000497   3.064087  -0.278503  -0.003945  -0.008848
    16  H    0.002892   0.011727  -0.278503   2.876147  -0.017018  -0.006849
    17  H   -0.053861  -0.007484  -0.003945  -0.017018   3.652536  -0.298873
    18  H   -0.001115  -0.001604  -0.008848  -0.006849  -0.298873   3.318390
    19  H   -0.000146   0.000038   0.046388  -0.005889   0.004592  -0.060839
    20  H   -0.000020  -0.000208  -0.144717   0.020937   0.001614   0.004387
    21  H   -0.000024  -0.000045   0.000067   0.000868   0.003531  -0.073170
    22  H    0.000006   0.000016   0.000557   0.000050   0.000493   0.012309
    23  H   -0.000002   0.000008   0.014759  -0.000801  -0.000700   0.005925
    24  H    0.000002  -0.000002  -0.003960   0.000254   0.000103  -0.004775
    25  H    0.000007  -0.000056  -0.020593   0.001973   0.002034  -0.012629
    26  H   -0.000051  -0.000478  -0.002502  -0.003580  -0.005366   0.016595
    27  H   -0.000041   0.000048   0.008580  -0.001469  -0.000862   0.005541
    28  H    0.005641  -0.052912   0.003112  -0.141351  -0.019824   0.002222
    29  C   -0.016426  -0.030392   0.008536   0.000951   0.015503   0.001770
    30  H   -0.034737   0.291370  -0.000018  -0.000232  -0.000080   0.000125
    31  H    0.008181  -0.015648  -0.001715   0.008925  -0.078528   0.000619
    32  H   -0.004728   0.005027   0.000464   0.002203   0.017461  -0.002004
    33  H    0.020999   0.007055   0.003215  -0.009104   0.009385  -0.001994
              19         20         21         22         23         24
     1  C   -0.543926   0.945764   0.044918   0.081189  -0.061998  -0.013703
     2  C    0.032795  -0.430691  -0.147518   0.225237   0.150697  -0.149677
     3  C   -0.304199   0.601128   0.005805   0.021616  -0.005712  -0.005102
     4  C    0.238081  -0.014162   0.132523  -0.002762   0.014900  -0.009093
     5  C    0.322485  -0.118074   0.100324   0.008417  -0.003587  -0.002402
     6  C    1.151079  -1.034845   0.291045  -0.156993   0.111586  -0.018549
     7  C   -1.517606  -0.800516  -0.254098  -0.247709  -0.083957   0.144982
     8  C    0.038429   0.044761  -2.233459   0.348156  -0.427140   0.307497
     9  C   -0.023729  -0.146699  -0.113372   0.048154   0.423782   0.038364
    10  C    0.017266   0.079374   0.325257  -0.026216  -0.059628   0.042572
    11  C    0.003652  -0.021247   0.009576   0.000387   0.001639  -0.001303
    12  C   -0.000521  -0.001582   0.002087   0.000092   0.000225  -0.000151
    13  O   -0.000146  -0.000020  -0.000024   0.000006  -0.000002   0.000002
    14  O    0.000038  -0.000208  -0.000045   0.000016   0.000008  -0.000002
    15  H    0.046388  -0.144717   0.000067   0.000557   0.014759  -0.003960
    16  H   -0.005889   0.020937   0.000868   0.000050  -0.000801   0.000254
    17  H    0.004592   0.001614   0.003531   0.000493  -0.000700   0.000103
    18  H   -0.060839   0.004387  -0.073170   0.012309   0.005925  -0.004775
    19  H    2.791779  -0.696763   0.026515  -0.091485   0.018348   0.027411
    20  H   -0.696763   3.143793   0.138588   0.029609  -0.068392   0.013242
    21  H    0.026515   0.138588   3.479870  -0.105827   0.146744  -0.123942
    22  H   -0.091485   0.029609  -0.105827   1.814784  -0.326594  -0.474680
    23  H    0.018348  -0.068392   0.146744  -0.326594   1.747688  -0.431116
    24  H    0.027411   0.013242  -0.123942  -0.474680  -0.431116   1.869356
    25  H    0.013764   0.029529   0.176105   0.000366  -0.008094  -0.021513
    26  H    0.037021  -0.022810  -0.087615  -0.023455   0.010281   0.026106
    27  H   -0.013241   0.007686  -0.066924   0.036241  -0.006672  -0.056551
    28  H    0.000342  -0.001658  -0.000433   0.000041   0.000027  -0.000036
    29  C   -0.002453  -0.002756   0.002746   0.000038   0.000171  -0.000126
    30  H   -0.000013   0.000032   0.000145  -0.000006   0.000006  -0.000003
    31  H   -0.000553   0.000007   0.000582  -0.000054   0.000019  -0.000002
    32  H    0.000358   0.000087   0.000079   0.000002   0.000002  -0.000009
    33  H   -0.000810  -0.000730   0.000248   0.000044   0.000049  -0.000024
              25         26         27         28         29         30
     1  C    0.220672  -0.042235  -0.028565   0.032130  -0.077750  -0.003893
     2  C   -0.125985   0.079054   0.043115  -0.012216  -0.220935  -0.002621
     3  C    0.135039  -0.241314   0.036183  -0.013195   0.321762  -0.006007
     4  C    0.007135   0.096221  -0.008940   0.903938  -0.422038   0.048356
     5  C    0.024859  -0.012186   0.005146  -0.208481  -0.807232  -0.035842
     6  C   -0.129414   0.227935  -0.042648  -0.090759  -0.046483   0.002623
     7  C   -0.340516  -0.283841   0.132001  -0.008195  -0.089501   0.000054
     8  C   -0.081785   0.377511  -0.089431   0.003652  -0.006896   0.000138
     9  C   -0.101406  -0.108604   0.111522  -0.000019  -0.000129  -0.000011
    10  C    0.263790   0.125144   0.052135  -0.001100  -0.001872  -0.000323
    11  C   -0.000715  -0.001477  -0.000786  -1.842852   0.205778   0.033476
    12  C    0.000464  -0.003916   0.001463   0.259678   0.311809  -0.095335
    13  O    0.000007  -0.000051  -0.000041   0.005641  -0.016426  -0.034737
    14  O   -0.000056  -0.000478   0.000048  -0.052912  -0.030392   0.291370
    15  H   -0.020593  -0.002502   0.008580   0.003112   0.008536  -0.000018
    16  H    0.001973  -0.003580  -0.001469  -0.141351   0.000951  -0.000232
    17  H    0.002034  -0.005366  -0.000862  -0.019824   0.015503  -0.000080
    18  H   -0.012629   0.016595   0.005541   0.002222   0.001770   0.000125
    19  H    0.013764   0.037021  -0.013241   0.000342  -0.002453  -0.000013
    20  H    0.029529  -0.022810   0.007686  -0.001658  -0.002756   0.000032
    21  H    0.176105  -0.087615  -0.066924  -0.000433   0.002746   0.000145
    22  H    0.000366  -0.023455   0.036241   0.000041   0.000038  -0.000006
    23  H   -0.008094   0.010281  -0.006672   0.000027   0.000171   0.000006
    24  H   -0.021513   0.026106  -0.056551  -0.000036  -0.000126  -0.000003
    25  H    1.955877  -0.341111  -0.470735  -0.000448   0.000606   0.000027
    26  H   -0.341111   2.133049  -0.649415  -0.000693   0.001110  -0.000293
    27  H   -0.470735  -0.649415   2.213264   0.000336  -0.000317  -0.000065
    28  H   -0.000448  -0.000693   0.000336   2.557851   0.072914   0.011439
    29  C    0.000606   0.001110  -0.000317   0.072914   5.349642   0.014917
    30  H    0.000027  -0.000293  -0.000065   0.011439   0.014917   0.580956
    31  H   -0.000036   0.000193  -0.000069   0.078294   0.667685   0.004068
    32  H    0.000061   0.000137   0.000016   0.006448  -0.293910   0.000477
    33  H    0.000082  -0.000391  -0.000024  -0.018496   0.085048  -0.000833
              31         32         33
     1  C    0.037006  -0.049686   0.043186
     2  C   -0.104374   0.063963  -0.047711
     3  C    0.204987  -0.318065   0.177069
     4  C    0.097742   0.940529  -0.789803
     5  C   -0.490116   0.239791   0.121005
     6  C   -0.040687   0.002916  -0.031508
     7  C   -0.011584   0.003295  -0.021745
     8  C   -0.000023  -0.000751  -0.000028
     9  C   -0.000082  -0.000054   0.000095
    10  C   -0.000944   0.000210  -0.000204
    11  C   -0.344348  -0.514365   0.716924
    12  C    0.110046  -0.000265  -0.117730
    13  O    0.008181  -0.004728   0.020999
    14  O   -0.015648   0.005027   0.007055
    15  H   -0.001715   0.000464   0.003215
    16  H    0.008925   0.002203  -0.009104
    17  H   -0.078528   0.017461   0.009385
    18  H    0.000619  -0.002004  -0.001994
    19  H   -0.000553   0.000358  -0.000810
    20  H    0.000007   0.000087  -0.000730
    21  H    0.000582   0.000079   0.000248
    22  H   -0.000054   0.000002   0.000044
    23  H    0.000019   0.000002   0.000049
    24  H   -0.000002  -0.000009  -0.000024
    25  H   -0.000036   0.000061   0.000082
    26  H    0.000193   0.000137  -0.000391
    27  H   -0.000069   0.000016  -0.000024
    28  H    0.078294   0.006448  -0.018496
    29  C    0.667685  -0.293910   0.085048
    30  H    0.004068   0.000477  -0.000833
    31  H    1.786768  -0.367726  -0.356546
    32  H   -0.367726   1.872024  -0.391834
    33  H   -0.356546  -0.391834   1.749525
 Mulliken charges:
               1
     1  C   -0.183912
     2  C    0.783187
     3  C   -0.013555
     4  C    0.210906
     5  C    1.215495
     6  C    0.748009
     7  C    1.882743
     8  C   -0.520013
     9  C    0.988240
    10  C    1.091399
    11  C    0.601461
    12  C    0.038174
    13  O   -0.178500
    14  O   -0.304770
    15  H   -0.819234
    16  H   -0.757023
    17  H   -0.984606
    18  H   -0.949703
    19  H   -0.508169
    20  H   -0.554672
    21  H   -0.681197
    22  H   -0.172022
    23  H   -0.162462
    24  H   -0.153166
    25  H   -0.177352
    26  H   -0.299023
    27  H   -0.216521
    28  H   -0.525394
    29  C    0.958228
    30  H    0.192105
    31  H   -0.192087
    32  H   -0.212151
    33  H   -0.144415
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.003146
     2  C    0.783187
     3  C   -0.770578
     4  C    0.210906
     5  C    0.230889
     6  C   -0.201694
     7  C    0.819902
     8  C   -1.201210
     9  C    0.500590
    10  C    0.398503
    11  C    0.076066
    12  C    0.038174
    13  O   -0.178500
    14  O   -0.112664
    29  C    0.409575
 Electronic spatial extent (au):  <R**2>=           4601.2471
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0674    Y=             -0.0844    Z=              1.2666  Tot=              1.6585
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.6837   YY=            -89.3474   ZZ=            -91.7839
   XY=             -0.0541   XZ=             -6.8859   YZ=             -0.2021
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0787   YY=              1.2576   ZZ=             -1.1789
   XY=             -0.0541   XZ=             -6.8859   YZ=             -0.2021
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.6755  YYY=             41.1233  ZZZ=              4.3937  XYY=            -27.2744
  XXY=              2.7409  XXZ=             26.1005  XZZ=              8.9398  YZZ=             -7.1735
  YYZ=             -2.7798  XYZ=             -4.6455
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5027.7941 YYYY=           -646.0271 ZZZZ=           -521.1085 XXXY=            -32.3121
 XXXZ=           -101.7695 YYYX=           -110.6014 YYYZ=             -2.6667 ZZZX=            -13.6466
 ZZZY=              0.1545 XXYY=           -868.4153 XXZZ=           -966.8693 YYZZ=           -224.8187
 XXYZ=             11.0317 YYXZ=             -4.4028 ZZXY=              5.6433
 N-N= 9.729962246704D+02 E-N=-3.472347157548D+03  KE= 6.520925705582D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:27:32 2021, MaxMem=  6442450944 cpu:               5.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2892   -0.3000       -0.1654   -0.1681
 2      0.2892    0.3000        0.0349    0.0464      -42.0244  -42.0192
 3      0.1654    0.1681       32.3756   32.3664       -0.0479   -0.0464
 4     -0.0349   -0.0464        0.0000    0.0000        0.1668    0.1681
 5      9.6488    9.6529       -0.1668   -0.1681       -0.3006   -0.3000
 6      0.0479    0.0464        0.3006    0.3000        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8999    0.8999       -0.5042   -0.5042
 2     -0.1392   -0.1392        0.0000    0.0000       -0.5042   -0.5042
 3     -0.1392   -0.1392        0.8999    0.8999       -0.0000    0.0000
 4      0.8999    0.8999        0.1392    0.1392     -126.0577 -126.0577
 5      0.5042    0.5042       97.0991   97.0991       -0.1392   -0.1392
 6     28.9586   28.9586       -0.5043   -0.5042       -0.8999   -0.8999
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3945    0.0000        0.5928    1.1999        0.7314    0.6723
 2     -1.2280   -1.1999       -0.3021   -0.1855      167.3871  168.0770
 3     -0.3630   -0.6723     -130.1798 -129.4654       -0.2066    0.1855
 4      0.0722    0.1855        0.1410    0.0000       -0.7428   -0.6723
 5    -38.9234  -38.6115        0.8628    0.6723        0.8149    1.1999
 6      0.0168   -0.1855       -1.1045   -1.1999       -0.2617    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5404    0.0000      -76.0002  -74.9672       46.0029   45.5438
 2     74.6725   74.9672        9.9111    8.1026      -24.1135  -22.5154
 3    -45.3665  -45.5438       10.9851   10.6873       -7.9632   -8.1026
 4     -7.4838   -8.1026        1.2969    0.0000      -46.2685  -45.5438
 5     13.7759   11.8281       45.6202   45.5438      -74.8467  -74.9672
 6      8.9335    8.1026       76.9842   74.9672       -0.9070    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.7318  -18.0151       -8.9652   -8.5414      -56.9000  -58.0217
 2    -28.2080  -27.6400      -68.1140  -67.2486      -56.6173  -58.0217
 3    -28.5084  -27.6400       -8.7654   -8.5414     -106.9978 -108.4716
 4     58.4460   58.7072        9.5940    9.6250      -14.0494  -13.3792
 5    -49.9831  -50.4499        7.3308    6.9002       -9.6077   -9.6250
 6     10.7709    6.4790       51.1849   50.4499      -56.5241  -58.7072
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2629                 0.8711                 1.6024
  Dep-P Fr= 1--      0.7272                 0.7016                 0.7497
  Dep-U Fr= 1--      0.8421                 0.8246                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0369                 0.1197                 0.2289
 AlphaG Fr= 1--      0.0007                 0.0039                -0.0004
 Gamma2 Fr= 1--     -0.5880                -0.0403                 0.6088
 Delta2 Fr= 1--     -0.5683                 0.3053                 0.0793
 Raman1 Fr= 1--       1.052                  3.484                  6.409
 ROA1   Fr= 1--     -74.630                  5.902                 60.988
 CID1   Fr= 1--     -70.956                  1.694                  9.515
 Raman2 Fr= 1--       0.443                  1.437                  2.746
 ROA2   Fr= 1--      -9.564                 -3.409                 13.977
 CID2   Fr= 1--     -21.597                 -2.373                  5.090
 Raman3 Fr= 1--       0.886                  2.873                  5.493
 ROA3   Fr= 1--     -74.630                  5.902                 60.988
 CID3   Fr= 1--     -84.262                  2.054                 11.104
 RC180  Fr= 1--       0.684                  0.649                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.0546                 1.8975                 2.3256
  Dep-P Fr= 1--      0.7401                 0.7438                 0.7300
  Dep-U Fr= 1--      0.8506                 0.8531                 0.8439
 Alpha2 Fr= 1--      0.0005                 0.0002                 0.0008
 Beta2  Fr= 1--      0.4331                 0.2698                 0.3271
 AlphaG Fr= 1--     -0.0006                 0.0001                -0.0023
 Gamma2 Fr= 1--      0.6571                -0.7324                 1.2923
 Delta2 Fr= 1--      0.8622                -0.4726                 0.6476
 Raman1 Fr= 1--      12.218                  7.590                  9.302
 ROA1   Fr= 1--      90.674                -85.435                144.785
 CID1   Fr= 1--       7.421                -11.256                 15.565
 Raman2 Fr= 1--       5.197                  3.237                  3.925
 ROA2   Fr= 1--       8.873                -13.797                 25.834
 CID2   Fr= 1--       1.707                 -4.262                  6.582
 Raman3 Fr= 1--      10.394                  6.475                  7.850
 ROA3   Fr= 1--      90.674                -85.435                144.785
 CID3   Fr= 1--       8.724                -13.195                 18.443
 RC180  Fr= 1--       0.701                  0.706                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.8665                 0.3610                 0.0663
  Dep-P Fr= 1--      0.1291                 0.1597                 0.5413
  Dep-U Fr= 1--      0.2286                 0.2754                 0.7024
 Alpha2 Fr= 1--      0.0141                 0.0054                 0.0003
 Beta2  Fr= 1--      0.0330                 0.0166                 0.0078
 AlphaG Fr= 1--      0.0004                -0.0045                -0.0003
 Gamma2 Fr= 1--     -0.0180                -0.2689                 0.1069
 Delta2 Fr= 1--     -0.0691                 0.0124                 0.0636
 Raman1 Fr= 1--       3.466                  1.444                  0.265
 ROA1   Fr= 1--      -3.945                -25.418                 12.301
 CID1   Fr= 1--      -1.138                -17.601                 46.361
 Raman2 Fr= 1--       0.396                  0.199                  0.093
 ROA2   Fr= 1--       0.120                 -6.553                  2.057
 CID2   Fr= 1--       0.303                -32.955                 22.076
 Raman3 Fr= 1--       0.792                  0.398                  0.186
 ROA3   Fr= 1--      -3.945                -25.418                 12.301
 CID3   Fr= 1--      -4.979                -63.911                 66.002
 RC180  Fr= 1--      -0.543                 -0.449                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1562                 1.9559                 0.1730
  Dep-P Fr= 1--      0.6743                 0.4947                 0.4449
  Dep-U Fr= 1--      0.8055                 0.6619                 0.6159
 Alpha2 Fr= 1--      0.0002                 0.0099                 0.0011
 Beta2  Fr= 1--      0.0210                 0.2158                 0.0178
 AlphaG Fr= 1--     -0.0018                 0.0106                 0.0089
 Gamma2 Fr= 1--     -0.1825                 0.1849                -0.3069
 Delta2 Fr= 1--     -0.0766                -0.0423                -0.0049
 Raman1 Fr= 1--       0.625                  7.824                  0.692
 ROA1   Fr= 1--     -19.974                 16.399                -29.620
 CID1   Fr= 1--     -31.965                  2.096                -42.814
 Raman2 Fr= 1--       0.252                  2.589                  0.213
 ROA2   Fr= 1--      -3.769                  4.776                 -7.326
 CID2   Fr= 1--     -14.976                  1.845                -34.388
 Raman3 Fr= 1--       0.503                  5.179                  0.426
 ROA3   Fr= 1--     -19.974                 16.399                -29.620
 CID3   Fr= 1--     -39.685                  3.167                -69.519
 RC180  Fr= 1--       0.611                  0.324                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.9590                 0.4438                 2.1061
  Dep-P Fr= 1--      0.1097                 0.4837                 0.5795
  Dep-U Fr= 1--      0.1978                 0.6520                 0.7338
 Alpha2 Fr= 1--      0.0335                 0.0024                 0.0067
 Beta2  Fr= 1--      0.0646                 0.0482                 0.2576
 AlphaG Fr= 1--      0.0076                -0.0044                -0.0075
 Gamma2 Fr= 1--     -0.1798                -0.0938                 0.2355
 Delta2 Fr= 1--     -0.2089                -0.0711                -0.0075
 Raman1 Fr= 1--       7.836                  1.775                  8.424
 ROA1   Fr= 1--     -23.944                -11.281                 22.369
 CID1   Fr= 1--      -3.056                 -6.355                  2.655
 Raman2 Fr= 1--       0.775                  0.579                  3.091
 ROA2   Fr= 1--      -2.643                 -1.683                  5.712
 CID2   Fr= 1--      -3.411                 -2.909                  1.848
 Raman3 Fr= 1--       1.550                  1.157                  6.182
 ROA3   Fr= 1--     -23.944                -11.281                 22.369
 CID3   Fr= 1--     -15.449                 -9.747                  3.619
 RC180  Fr= 1--      -0.604                  0.304                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.5969                 4.4026                 0.5571
  Dep-P Fr= 1--      0.0968                 0.1160                 0.0787
  Dep-U Fr= 1--      0.1765                 0.2079                 0.1460
 Alpha2 Fr= 1--      0.0105                 0.0741                 0.0103
 Beta2  Fr= 1--      0.0176                 0.1526                 0.0136
 AlphaG Fr= 1--      0.0164                 0.0695                -0.0528
 Gamma2 Fr= 1--      0.2718                 1.3210                -0.3704
 Delta2 Fr= 1--      0.0160                -0.1530                -0.1028
 Raman1 Fr= 1--       2.388                 17.611                  2.229
 ROA1   Fr= 1--      26.604                121.914                -38.850
 CID1   Fr= 1--      11.143                  6.923                -17.433
 Raman2 Fr= 1--       0.211                  1.831                  0.163
 ROA2   Fr= 1--       6.396                 32.927                 -8.068
 CID2   Fr= 1--      30.359                 17.986                -49.600
 Raman3 Fr= 1--       0.421                  3.662                  0.325
 ROA3   Fr= 1--      26.604                121.914                -38.850
 CID3   Fr= 1--      63.142                 33.296               -119.420
 RC180  Fr= 1--      -0.647                 -0.584                 -0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.8240                 1.7642                 0.8768
  Dep-P Fr= 1--      0.6601                 0.1398                 0.2724
  Dep-U Fr= 1--      0.7953                 0.2453                 0.4281
 Alpha2 Fr= 1--      0.0013                 0.0280                 0.0098
 Beta2  Fr= 1--      0.1092                 0.0721                 0.0626
 AlphaG Fr= 1--      0.0095                -0.0205                 0.0168
 Gamma2 Fr= 1--      0.3540                 0.2840                 0.2054
 Delta2 Fr= 1--      0.0527                 0.2853                 0.1882
 Raman1 Fr= 1--       3.296                  7.057                  3.507
 ROA1   Fr= 1--      35.673                 36.389                 25.743
 CID1   Fr= 1--      10.823                  5.157                  7.340
 Raman2 Fr= 1--       1.311                  0.865                  0.751
 ROA2   Fr= 1--       8.075                  4.533                  3.425
 CID2   Fr= 1--       6.161                  5.237                  4.562
 Raman3 Fr= 1--       2.621                  1.731                  1.502
 ROA3   Fr= 1--      35.673                 36.389                 25.743
 CID3   Fr= 1--      13.609                 21.023                 17.144
 RC180  Fr= 1--       0.591                 -0.509                 -0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.1900                 1.0483                 3.1785
  Dep-P Fr= 1--      0.4513                 0.6639                 0.6191
  Dep-U Fr= 1--      0.6219                 0.7980                 0.7647
 Alpha2 Fr= 1--      0.0012                 0.0016                 0.0076
 Beta2  Fr= 1--      0.0197                 0.1394                 0.4051
 AlphaG Fr= 1--     -0.0030                 0.0126                -0.0202
 Gamma2 Fr= 1--     -0.0234                -1.3418                -0.2293
 Delta2 Fr= 1--     -0.1319                -0.3103                -0.1428
 Raman1 Fr= 1--       0.760                  4.193                 12.714
 ROA1   Fr= 1--      -6.466               -138.740                -26.583
 CID1   Fr= 1--      -8.509                -33.086                 -2.091
 Raman2 Fr= 1--       0.236                  1.673                  4.861
 ROA2   Fr= 1--       0.494                -29.719                 -4.361
 CID2   Fr= 1--       2.091                -17.762                 -0.897
 Raman3 Fr= 1--       0.473                  3.346                  9.723
 ROA3   Fr= 1--      -6.466               -138.740                -26.583
 CID3   Fr= 1--     -13.682                -41.459                 -2.734
 RC180  Fr= 1--       0.244                  0.596                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.6601                 2.7996                 5.3341
  Dep-P Fr= 1--      0.5417                 0.0299                 0.0687
  Dep-U Fr= 1--      0.7027                 0.0580                 0.1286
 Alpha2 Fr= 1--      0.0187                 0.0580                 0.1008
 Beta2  Fr= 1--      0.5458                 0.0271                 0.1143
 AlphaG Fr= 1--     -0.0500                 0.0586                -0.0249
 Gamma2 Fr= 1--      0.2256                 0.6009                 0.4834
 Delta2 Fr= 1--     -0.0210                 0.1990                -0.0528
 Raman1 Fr= 1--      18.640                 11.198                 21.337
 ROA1   Fr= 1--      20.986                 64.060                 44.719
 CID1   Fr= 1--       1.126                  5.720                  2.096
 Raman2 Fr= 1--       6.550                  0.325                  1.372
 ROA2   Fr= 1--       5.582                 12.831                 12.025
 CID2   Fr= 1--       0.852                 39.480                  8.765
 Raman3 Fr= 1--      13.099                  0.650                  2.744
 ROA3   Fr= 1--      20.986                 64.060                 44.719
 CID3   Fr= 1--       1.602                 98.558                 16.297
 RC180  Fr= 1--       0.405                 -0.884                 -0.743
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     29.2715                 0.8304                 6.0515
  Dep-P Fr= 1--      0.0521                 0.1531                 0.0932
  Dep-U Fr= 1--      0.0991                 0.2656                 0.1706
 Alpha2 Fr= 1--      0.5753                 0.0127                 0.1077
 Beta2  Fr= 1--      0.4835                 0.0368                 0.1720
 AlphaG Fr= 1--     -0.1821                 0.0125                 0.0566
 Gamma2 Fr= 1--     -0.6761                 0.0924                -2.0830
 Delta2 Fr= 1--      0.1408                 0.0882                -2.2545
 Raman1 Fr= 1--     117.086                  3.322                 24.206
 ROA1   Fr= 1--     -60.401                 11.692               -272.115
 CID1   Fr= 1--      -0.516                  3.520                -11.242
 Raman2 Fr= 1--       5.802                  0.441                  2.064
 ROA2   Fr= 1--     -17.352                  1.511                -31.957
 CID2   Fr= 1--      -2.991                  3.426                -15.481
 Raman3 Fr= 1--      11.603                  0.882                  4.129
 ROA3   Fr= 1--     -60.401                 11.692               -272.115
 CID3   Fr= 1--      -5.206                 13.253                -65.909
 RC180  Fr= 1--      -0.802                 -0.469                 -0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      1.2917                12.8423                 6.0683
  Dep-P Fr= 1--      0.2178                 0.1932                 0.0816
  Dep-U Fr= 1--      0.3577                 0.3239                 0.1508
 Alpha2 Fr= 1--      0.0167                 0.1776                 0.1111
 Beta2  Fr= 1--      0.0770                 0.6932                 0.1525
 AlphaG Fr= 1--     -0.0199                -0.1066                -0.0920
 Gamma2 Fr= 1--      0.0649                 2.1304                 0.3651
 Delta2 Fr= 1--      0.0321                 0.6226                 0.8042
 Raman1 Fr= 1--       5.167                 51.369                 24.273
 ROA1   Fr= 1--       7.256                224.443                 60.782
 CID1   Fr= 1--       1.404                  4.369                  2.504
 Raman2 Fr= 1--       0.924                  8.318                  1.831
 ROA2   Fr= 1--       1.301                 46.149                  2.328
 CID2   Fr= 1--       1.408                  5.548                  1.272
 Raman3 Fr= 1--       1.848                 16.637                  3.661
 ROA3   Fr= 1--       7.256                224.443                 60.782
 CID3   Fr= 1--       3.926                 13.491                 16.602
 RC180  Fr= 1--      -0.285                 -0.352                 -0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.1549                 1.2160                 5.7055
  Dep-P Fr= 1--      0.6558                 0.5091                 0.7396
  Dep-U Fr= 1--      0.7921                 0.6747                 0.8503
 Alpha2 Fr= 1--      0.0036                 0.0058                 0.0010
 Beta2  Fr= 1--      0.2845                 0.1367                 0.8086
 AlphaG Fr= 1--      0.0066                 0.0240                -0.0030
 Gamma2 Fr= 1--     -0.5184                -0.2996                -2.5691
 Delta2 Fr= 1--     -0.0016                -0.6941                -0.3336
 Raman1 Fr= 1--       8.620                  4.864                 22.822
 ROA1   Fr= 1--     -49.812                -50.970               -257.313
 CID1   Fr= 1--      -5.779                -10.479                -11.275
 Raman2 Fr= 1--       3.414                  1.641                  9.703
 ROA2   Fr= 1--     -12.428                 -1.637                -58.991
 CID2   Fr= 1--      -3.640                 -0.998                 -6.080
 Raman3 Fr= 1--       6.828                  3.282                 19.406
 ROA3   Fr= 1--     -49.812                -50.970               -257.313
 CID3   Fr= 1--      -7.295                -15.533                -13.259
 RC180  Fr= 1--       0.584                  0.349                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.9376                 2.6056                 0.3869
  Dep-P Fr= 1--      0.5948                 0.6405                 0.6438
  Dep-U Fr= 1--      0.7459                 0.7808                 0.7833
 Alpha2 Fr= 1--      0.0056                 0.0052                 0.0007
 Beta2  Fr= 1--      0.2409                 0.3391                 0.0505
 AlphaG Fr= 1--      0.0669                 0.0007                -0.0023
 Gamma2 Fr= 1--      0.2840                -0.1730                -0.4327
 Delta2 Fr= 1--      0.2453                -0.1174                 0.4514
 Raman1 Fr= 1--       7.750                 10.422                  1.548
 ROA1   Fr= 1--      35.118                -20.366                -27.093
 CID1   Fr= 1--       4.531                 -1.954                -17.506
 Raman2 Fr= 1--       2.890                  4.069                  0.606
 ROA2   Fr= 1--       4.855                 -3.213                -13.996
 CID2   Fr= 1--       1.680                 -0.790                -23.090
 Raman3 Fr= 1--       5.781                  8.138                  1.212
 ROA3   Fr= 1--      35.118                -20.366                -27.093
 CID3   Fr= 1--       6.075                 -2.503                -22.348
 RC180  Fr= 1--       0.492                  0.562                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--      9.0503                 0.0623                 3.0064
  Dep-P Fr= 1--      0.2466                 0.6746                 0.5645
  Dep-U Fr= 1--      0.3956                 0.8057                 0.7217
 Alpha2 Fr= 1--      0.1083                 0.0001                 0.0106
 Beta2  Fr= 1--      0.5967                 0.0084                 0.3616
 AlphaG Fr= 1--      0.0184                 0.0007                 0.0161
 Gamma2 Fr= 1--      0.3638                -0.0247                -0.8259
 Delta2 Fr= 1--     -1.2491                 0.1677                 1.1345
 Raman1 Fr= 1--      36.201                  0.249                 12.025
 ROA1   Fr= 1--      -5.050                  2.993                -42.986
 CID1   Fr= 1--      -0.140                 12.005                 -3.575
 Raman2 Fr= 1--       7.161                  0.100                  4.339
 ROA2   Fr= 1--      18.723                 -1.935                -28.899
 CID2   Fr= 1--       2.615                -19.261                 -6.660
 Raman3 Fr= 1--      14.321                  0.201                  8.678
 ROA3   Fr= 1--      -5.050                  2.993                -42.986
 CID3   Fr= 1--      -0.353                 14.900                 -4.953
 RC180  Fr= 1--      -0.209                  0.611                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      2.9931                 4.8532                14.7353
  Dep-P Fr= 1--      0.2674                 0.3098                 0.4517
  Dep-U Fr= 1--      0.4219                 0.4730                 0.6223
 Alpha2 Fr= 1--      0.0338                 0.0483                 0.0897
 Beta2  Fr= 1--      0.2105                 0.3826                 1.5282
 AlphaG Fr= 1--     -0.0196                 0.0188                -0.1383
 Gamma2 Fr= 1--      0.0513                -1.9134                 0.9067
 Delta2 Fr= 1--      0.6147                -0.4856                -0.0472
 Raman1 Fr= 1--      11.973                 19.413                 58.941
 ROA1   Fr= 1--      24.598               -199.222                 85.532
 CID1   Fr= 1--       2.054                -10.262                  1.451
 Raman2 Fr= 1--       2.526                  4.592                 18.338
 ROA2   Fr= 1--      -3.685                -42.036                 22.138
 CID2   Fr= 1--      -1.459                 -9.155                  1.207
 Raman3 Fr= 1--       5.052                  9.183                 36.677
 ROA3   Fr= 1--      24.598               -199.222                 85.532
 CID3   Fr= 1--       4.869                -21.694                  2.332
 RC180  Fr= 1--      -0.156                 -0.054                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      7.8655                 1.2802                 2.9682
  Dep-P Fr= 1--      0.1555                 0.5181                 0.6012
  Dep-U Fr= 1--      0.2692                 0.6825                 0.7510
 Alpha2 Fr= 1--      0.1199                 0.0058                 0.0082
 Beta2  Fr= 1--      0.3529                 0.1456                 0.3715
 AlphaG Fr= 1--     -0.0075                -0.0213                -0.0176
 Gamma2 Fr= 1--      0.2471                -1.8854                 1.5631
 Delta2 Fr= 1--      0.8140                -0.7023                -0.4207
 Raman1 Fr= 1--      31.462                  5.121                 11.873
 ROA1   Fr= 1--      49.767               -203.469                136.594
 CID1   Fr= 1--       1.582                -39.735                 11.505
 Raman2 Fr= 1--       4.235                  1.748                  4.458
 ROA2   Fr= 1--      -0.583                -39.630                 40.880
 CID2   Fr= 1--      -0.138                -22.678                  9.170
 Raman3 Fr= 1--       8.470                  3.495                  8.916
 ROA3   Fr= 1--      49.767               -203.469                136.594
 CID3   Fr= 1--       5.876                -58.216                 15.320
 RC180  Fr= 1--      -0.462                  0.365                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     39.8688                37.4109                27.8623
  Dep-P Fr= 1--      0.0897                 0.1458                 0.1148
  Dep-U Fr= 1--      0.1647                 0.2544                 0.2060
 Alpha2 Fr= 1--      0.7157                 0.5846                 0.4704
 Beta2  Fr= 1--      1.0943                 1.5864                 0.9564
 AlphaG Fr= 1--     -0.2541                -0.1151                -0.1280
 Gamma2 Fr= 1--     -3.2404                -0.1687                -0.0337
 Delta2 Fr= 1--      1.1021                -0.5270                 0.2684
 Raman1 Fr= 1--     159.475                149.644                111.449
 ROA1   Fr= 1--    -275.816                -33.056                  5.356
 CID1   Fr= 1--      -1.730                 -0.221                  0.048
 Raman2 Fr= 1--      13.132                 19.036                 11.477
 ROA2   Fr= 1--     -86.587                  0.168                 -2.955
 CID2   Fr= 1--      -6.594                  0.009                 -0.258
 Raman3 Fr= 1--      26.264                 38.073                 22.954
 ROA3   Fr= 1--    -275.816                -33.056                  5.356
 CID3   Fr= 1--     -10.502                 -0.868                  0.233
 RC180  Fr= 1--      -0.671                 -0.491                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      5.5805                 4.6443                 6.5176
  Dep-P Fr= 1--      0.5398                 0.5571                 0.5011
  Dep-U Fr= 1--      0.7011                 0.7156                 0.6677
 Alpha2 Fr= 1--      0.0226                 0.0170                 0.0320
 Beta2  Fr= 1--      0.6521                 0.5539                 0.7253
 AlphaG Fr= 1--      0.0104                -0.0055                -0.0516
 Gamma2 Fr= 1--      2.0796                 1.1096                -4.1034
 Delta2 Fr= 1--     -0.0542                -0.2423                 0.0898
 Raman1 Fr= 1--      22.322                 18.577                 26.070
 ROA1   Fr= 1--     197.908                 98.766               -391.050
 CID1   Fr= 1--       8.866                  5.317                -15.000
 Raman2 Fr= 1--       7.825                  6.647                  8.703
 ROA2   Fr= 1--      50.343                 28.569                -99.200
 CID2   Fr= 1--       6.434                  4.298                -11.398
 Raman3 Fr= 1--      15.650                 13.293                 17.407
 ROA3   Fr= 1--     197.908                 98.766               -391.050
 CID3   Fr= 1--      12.646                  7.430                -22.466
 RC180  Fr= 1--       0.402                  0.431                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     16.3784                 1.2040                12.0231
  Dep-P Fr= 1--      0.2863                 0.7446                 0.4651
  Dep-U Fr= 1--      0.4451                 0.8536                 0.6349
 Alpha2 Fr= 1--      0.1749                 0.0001                 0.0693
 Beta2  Fr= 1--      1.2151                 0.1713                 1.2723
 AlphaG Fr= 1--     -0.0494                 0.0095                -0.0813
 Gamma2 Fr= 1--      3.8906                -2.8233                 7.1145
 Delta2 Fr= 1--      0.2550                -0.7221                 4.7904
 Raman1 Fr= 1--      65.514                  4.816                 48.093
 ROA1   Fr= 1--     381.659               -294.141                836.282
 CID1   Fr= 1--       5.826                -61.074                 17.389
 Raman2 Fr= 1--      14.581                  2.055                 15.268
 ROA2   Fr= 1--      91.334                -61.982                132.425
 CID2   Fr= 1--       6.264                -30.155                  8.673
 Raman3 Fr= 1--      29.163                  4.111                 30.536
 ROA3   Fr= 1--     381.659               -294.141                836.282
 CID3   Fr= 1--      13.087                -71.551                 27.387
 RC180  Fr= 1--      -0.110                  0.707                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      2.7467                14.7031                 4.9288
  Dep-P Fr= 1--      0.2169                 0.5569                 0.7486
  Dep-U Fr= 1--      0.3564                 0.7154                 0.8562
 Alpha2 Fr= 1--      0.0357                 0.0540                 0.0001
 Beta2  Fr= 1--      0.1632                 1.7531                 0.7034
 AlphaG Fr= 1--     -0.1507                -0.1007                -0.0038
 Gamma2 Fr= 1--     -2.3351                -4.7841                 1.4019
 Delta2 Fr= 1--     -0.4939                 1.1934                -1.7084
 Raman1 Fr= 1--      10.987                 58.812                 19.715
 ROA1   Fr= 1--    -239.977               -421.084                 79.918
 CID1   Fr= 1--     -21.842                 -7.160                  4.054
 Raman2 Fr= 1--       1.958                 21.038                  8.440
 ROA2   Fr= 1--     -52.091               -124.366                 47.313
 CID2   Fr= 1--     -26.603                 -5.912                  5.606
 Raman3 Fr= 1--       3.916                 42.075                 16.880
 ROA3   Fr= 1--    -239.977               -421.084                 79.918
 CID3   Fr= 1--     -61.279                -10.008                  4.734
 RC180  Fr= 1--      -0.287                  0.431                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.2028                 0.8248                 1.0541
  Dep-P Fr= 1--      0.2258                 0.5964                 0.5131
  Dep-U Fr= 1--      0.3685                 0.7472                 0.6782
 Alpha2 Fr= 1--      0.0026                 0.0024                 0.0049
 Beta2  Fr= 1--      0.0125                 0.1027                 0.1192
 AlphaG Fr= 1--     -0.0057                 0.0011                -0.0072
 Gamma2 Fr= 1--     -0.0086                -0.0246                -0.1316
 Delta2 Fr= 1--     -0.0206                 0.0784                 0.0888
 Raman1 Fr= 1--       0.811                  3.299                  4.217
 ROA1   Fr= 1--      -1.487                  0.151                 -9.794
 CID1   Fr= 1--      -1.834                  0.046                 -2.323
 Raman2 Fr= 1--       0.149                  1.233                  1.430
 ROA2   Fr= 1--      -0.042                 -1.216                 -3.869
 CID2   Fr= 1--      -0.279                 -0.987                 -2.706
 Raman3 Fr= 1--       0.299                  2.465                  2.860
 ROA3   Fr= 1--      -1.487                  0.151                 -9.794
 CID3   Fr= 1--      -4.977                  0.061                 -3.425
 RC180  Fr= 1--      -0.263                  0.494                  0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.4302                 1.7368                12.9093
  Dep-P Fr= 1--      0.5292                 0.6793                 0.7213
  Dep-U Fr= 1--      0.6921                 0.8090                 0.8381
 Alpha2 Fr= 1--      0.0018                 0.0022                 0.0064
 Beta2  Fr= 1--      0.0496                 0.2342                 1.8032
 AlphaG Fr= 1--      0.0133                -0.0282                 0.0115
 Gamma2 Fr= 1--      2.6303                -1.3859                -2.7845
 Delta2 Fr= 1--     -1.3914                 0.3078                 0.8998
 Raman1 Fr= 1--       1.721                  6.947                 51.637
 ROA1   Fr= 1--     207.986               -123.194               -238.514
 CID1   Fr= 1--     120.864                -17.732                 -4.619
 Raman2 Fr= 1--       0.595                  2.810                 21.638
 ROA2   Fr= 1--      74.260                -35.723                -74.026
 CID2   Fr= 1--     124.703                -12.711                 -3.421
 Raman3 Fr= 1--       1.191                  5.621                 43.277
 ROA3   Fr= 1--     207.986               -123.194               -238.514
 CID3   Fr= 1--     174.634                -21.918                 -5.511
 RC180  Fr= 1--       0.384                  0.618                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      6.4126                 3.7443                 5.5224
  Dep-P Fr= 1--      0.6179                 0.7315                 0.6838
  Dep-U Fr= 1--      0.7639                 0.8449                 0.8122
 Alpha2 Fr= 1--      0.0155                 0.0012                 0.0064
 Beta2  Fr= 1--      0.8164                 0.5273                 0.7476
 AlphaG Fr= 1--      0.0167                -0.0031                 0.0546
 Gamma2 Fr= 1--     -0.8122                -1.9224                 1.5413
 Delta2 Fr= 1--     -1.2042                 0.4379                 1.3518
 Raman1 Fr= 1--      25.650                 14.977                 22.090
 ROA1   Fr= 1--    -116.502               -170.539                191.218
 CID1   Fr= 1--      -4.542                -11.386                  8.656
 Raman2 Fr= 1--       9.797                  6.327                  8.971
 ROA2   Fr= 1--      -9.859                -49.641                 26.176
 CID2   Fr= 1--      -1.006                 -7.845                  2.918
 Raman3 Fr= 1--      19.593                 12.655                 17.942
 ROA3   Fr= 1--    -116.502               -170.539                191.218
 CID3   Fr= 1--      -5.946                -13.476                 10.658
 RC180  Fr= 1--       0.528                  0.690                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      9.9460                 1.1324                 0.2279
  Dep-P Fr= 1--      0.7341                 0.4959                 0.5830
  Dep-U Fr= 1--      0.8466                 0.6630                 0.7366
 Alpha2 Fr= 1--      0.0027                 0.0057                 0.0007
 Beta2  Fr= 1--      1.4035                 0.1251                 0.0280
 AlphaG Fr= 1--     -0.0143                 0.0082                -0.0049
 Gamma2 Fr= 1--      1.1753                 1.7951                 0.0924
 Delta2 Fr= 1--     -0.1845                 0.3600                 0.2104
 Raman1 Fr= 1--      39.784                  4.530                  0.912
 ROA1   Fr= 1--     106.925                183.851                 15.606
 CID1   Fr= 1--       2.688                 40.588                 17.120
 Raman2 Fr= 1--      16.842                  1.502                  0.336
 ROA2   Fr= 1--      29.683                 40.203                  0.535
 CID2   Fr= 1--       1.762                 26.773                  1.594
 Raman3 Fr= 1--      33.683                  3.003                  0.671
 ROA3   Fr= 1--     106.925                183.851                 15.606
 CID3   Fr= 1--       3.174                 61.218                 23.243
 RC180  Fr= 1--       0.693                  0.326                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.5637               116.9810                12.1968
  Dep-P Fr= 1--      0.7298                 0.4929                 0.2037
  Dep-U Fr= 1--      0.8438                 0.6603                 0.3384
 Alpha2 Fr= 1--      0.0005                 0.5969                 0.1640
 Beta2  Fr= 1--      0.2199                12.8744                 0.6879
 AlphaG Fr= 1--     -0.0198                -0.6072                -0.4147
 Gamma2 Fr= 1--      0.0735                -6.5962                -1.6995
 Delta2 Fr= 1--     -0.0280                 0.0514                 0.9317
 Raman1 Fr= 1--       6.255                467.924                 48.787
 ROA1   Fr= 1--       6.162               -631.586               -133.333
 CID1   Fr= 1--       0.985                 -1.350                 -2.733
 Raman2 Fr= 1--       2.639                154.493                  8.255
 ROA2   Fr= 1--       1.989               -158.719                -48.241
 CID2   Fr= 1--       0.754                 -1.027                 -5.844
 Raman3 Fr= 1--       5.278                308.986                 16.511
 ROA3   Fr= 1--       6.162               -631.586               -133.333
 CID3   Fr= 1--       1.168                 -2.044                 -8.076
 RC180  Fr= 1--       0.688                  0.321                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    148.5266                15.4557                25.0047
  Dep-P Fr= 1--      0.2049                 0.6206                 0.3131
  Dep-U Fr= 1--      0.3401                 0.7659                 0.4769
 Alpha2 Fr= 1--      1.9908                 0.0366                 0.2465
 Beta2  Fr= 1--      8.4199                 1.9729                 1.9875
 AlphaG Fr= 1--     -1.0275                -0.1400                 0.2557
 Gamma2 Fr= 1--    -11.2766                 6.4310                -0.1727
 Delta2 Fr= 1--     -6.0840                 2.3390                 3.1506
 Raman1 Fr= 1--     594.107                 61.823                100.019
 ROA1   Fr= 1--   -1277.241                692.225                 84.241
 CID1   Fr= 1--      -2.150                 11.197                  0.842
 Raman2 Fr= 1--     101.039                 23.675                 23.850
 ROA2   Fr= 1--    -221.966                135.633                -29.349
 CID2   Fr= 1--      -2.197                  5.729                 -1.231
 Raman3 Fr= 1--     202.078                 47.349                 47.700
 ROA3   Fr= 1--   -1277.241                692.225                 84.241
 CID3   Fr= 1--      -6.321                 14.620                  1.766
 RC180  Fr= 1--      -0.320                  0.532                 -0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    428.4101               229.0801                30.9690
  Dep-P Fr= 1--      0.0085                 0.0624                 0.7265
  Dep-U Fr= 1--      0.0169                 0.1174                 0.8416
 Alpha2 Fr= 1--      9.3321                 4.3931                 0.0125
 Beta2  Fr= 1--      1.2095                 4.4842                 4.3438
 AlphaG Fr= 1--      1.3269                -0.3380                 0.1564
 Gamma2 Fr= 1--      1.1859                 0.9085                 2.1601
 Delta2 Fr= 1--      0.0032                 3.5846                -0.9147
 Raman1 Fr= 1--    1713.640                916.320                123.876
 ROA1   Fr= 1--     113.950                201.925                178.105
 CID1   Fr= 1--       0.066                  0.220                  1.438
 Raman2 Fr= 1--      14.514                 53.810                 52.125
 ROA2   Fr= 1--      28.436                 -6.872                 59.161
 CID2   Fr= 1--       1.959                 -0.128                  1.135
 Raman3 Fr= 1--      29.028                107.620                104.250
 ROA3   Fr= 1--     113.950                201.925                178.105
 CID3   Fr= 1--       3.925                  1.876                  1.708
 RC180  Fr= 1--      -0.966                 -0.765                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     69.7019                24.7523               122.0422
  Dep-P Fr= 1--      0.2067                 0.7337                 0.4611
  Dep-U Fr= 1--      0.3426                 0.8464                 0.6312
 Alpha2 Fr= 1--      0.9298                 0.0069                 0.7149
 Beta2  Fr= 1--      3.9803                 3.4918                12.8390
 AlphaG Fr= 1--     -0.0003                 0.0288                 1.3257
 Gamma2 Fr= 1--     -1.4909                10.8061                -5.5055
 Delta2 Fr= 1--     -3.5182                -4.5727                16.8154
 Raman1 Fr= 1--     278.808                 99.009                488.169
 ROA1   Fr= 1--    -255.704                891.058                  9.566
 CID1   Fr= 1--      -0.917                  9.000                  0.020
 Raman2 Fr= 1--      47.763                 41.901                154.068
 ROA2   Fr= 1--      -7.635                295.927               -266.655
 CID2   Fr= 1--      -0.160                  7.063                 -1.731
 Raman3 Fr= 1--      95.527                 83.802                308.136
 ROA3   Fr= 1--    -255.704                891.058                  9.566
 CID3   Fr= 1--      -2.677                 10.633                  0.031
 RC180  Fr= 1--      -0.315                  0.693                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    131.3946                57.4982               116.1370
  Dep-P Fr= 1--      0.6598                 0.7122                 0.6819
  Dep-U Fr= 1--      0.7950                 0.8319                 0.8109
 Alpha2 Fr= 1--      0.2116                 0.0376                 0.1393
 Beta2  Fr= 1--     17.4103                 7.9720                15.6954
 AlphaG Fr= 1--      0.0432                 0.1606                 0.0782
 Gamma2 Fr= 1--     -6.7729                10.6312                 1.1624
 Delta2 Fr= 1--    -11.7134                 1.1416                -4.5382
 Raman1 Fr= 1--     525.579                229.993                464.548
 ROA1   Fr= 1--   -1025.022               1057.122                -33.632
 CID1   Fr= 1--      -1.950                  4.596                 -0.072
 Raman2 Fr= 1--     208.923                 95.664                188.345
 ROA2   Fr= 1--     -68.841                246.015                 64.203
 CID2   Fr= 1--      -0.330                  2.572                  0.341
 Raman3 Fr= 1--     417.846                191.328                376.691
 ROA3   Fr= 1--   -1025.022               1057.122                -33.632
 CID3   Fr= 1--      -2.453                  5.525                 -0.089
 RC180  Fr= 1--       0.590                  0.664                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     30.1423                11.6520               105.0232
  Dep-P Fr= 1--      0.6683                 0.1298                 0.6877
  Dep-U Fr= 1--      0.8012                 0.2297                 0.8149
 Alpha2 Fr= 1--      0.0437                 0.1895                 0.1150
 Beta2  Fr= 1--      4.0248                 0.4461                14.2643
 AlphaG Fr= 1--      0.0724                 0.0035                -0.1324
 Gamma2 Fr= 1--     -1.7107                -0.8122                 0.8094
 Delta2 Fr= 1--      2.1449                -0.6933                 2.4318
 Raman1 Fr= 1--     120.569                 46.608                420.093
 ROA1   Fr= 1--     -95.594               -100.154                155.518
 CID1   Fr= 1--      -0.793                 -2.149                  0.370
 Raman2 Fr= 1--      48.298                  5.353                171.171
 ROA2   Fr= 1--     -58.217                -13.946                 -0.029
 CID2   Fr= 1--      -1.205                 -2.605                 -0.000
 Raman3 Fr= 1--      96.596                 10.706                342.342
 ROA3   Fr= 1--     -95.594               -100.154                155.518
 CID3   Fr= 1--      -0.990                 -9.355                  0.454
 RC180  Fr= 1--       0.602                 -0.541                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    114.7474               131.2776               115.1865
  Dep-P Fr= 1--      0.1446                 0.1356                 0.2390
  Dep-U Fr= 1--      0.2527                 0.2387                 0.3857
 Alpha2 Fr= 1--      1.7983                 2.1047                 1.4078
 Beta2  Fr= 1--      4.8320                 5.2236                 7.4053
 AlphaG Fr= 1--      0.2384                -0.3186                -0.4207
 Gamma2 Fr= 1--      1.9925                 0.9235                -6.4136
 Delta2 Fr= 1--      1.2457                -0.4700                -0.0296
 Raman1 Fr= 1--     458.990                525.111                460.746
 ROA1   Fr= 1--     231.138                 73.615               -616.653
 CID1   Fr= 1--       0.504                  0.140                 -1.338
 Raman2 Fr= 1--      57.984                 62.683                 88.864
 ROA2   Fr= 1--      37.853                 25.924               -153.690
 CID2   Fr= 1--       0.653                  0.414                 -1.729
 Raman3 Fr= 1--     115.968                125.366                177.728
 ROA3   Fr= 1--     231.138                 73.615               -616.653
 CID3   Fr= 1--       1.993                  0.587                 -3.470
 RC180  Fr= 1--      -0.495                 -0.523                 -0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220220D+03 -0.336168D+00  0.599954D+00
      2  -0.336168D+00  0.136181D+03 -0.927704D-01
      3   0.599954D+00 -0.927704D-01  0.155487D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.690580D+01 -0.197507D+01  0.238156D+02
      2  -0.435687D+02  0.435192D+01  0.458416D+02
      3  -0.987828D+02 -0.377389D+02 -0.156215D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.245552D+03  0.391131D+02 -0.753546D+02
      2  -0.131783D+03 -0.109776D+02  0.331171D+02
      3  -0.113768D+03 -0.281355D+02  0.422375D+02
      4  -0.441536D+02  0.707622D+02  0.101819D+02
      5  -0.464615D+02  0.680195D+01  0.984023D+02
      6   0.687214D+01  0.115603D+02 -0.526950D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991294D+01  0.625529D+00  0.426959D-01  0.158916D+01  0.214959D+01
      2   0.625529D+00  0.181769D+01 -0.118968D+00  0.214959D+01 -0.167836D+01
      3   0.426959D-01 -0.118968D+00  0.323850D+01  0.843096D+00  0.328071D+01
                 6             7             8             9            10 
      1   0.843096D+00  0.127281D+02  0.686100D+00 -0.139535D+01  0.290815D+02
      2   0.328071D+01  0.686100D+00  0.150261D+01  0.433792D+00  0.116858D+01
      3  -0.239450D+00 -0.139535D+01  0.433792D+00  0.169453D-01 -0.146329D+01
                11            12            13            14            15 
      1   0.116858D+01 -0.146329D+01 -0.146400D+01  0.473045D+01  0.451754D+00
      2   0.175841D+01 -0.218805D+00  0.473045D+01 -0.851315D+00 -0.244648D+00
      3  -0.218805D+00  0.319374D+01  0.451754D+00 -0.244648D+00 -0.800192D+00
                16            17            18            19            20 
      1  -0.310857D+01  0.347702D+00  0.799476D+00  0.118977D+02 -0.452551D+00
      2   0.347702D+00 -0.370289D+00 -0.776709D+00 -0.452551D+00 -0.176327D+01
      3   0.799476D+00 -0.776709D+00  0.889198D+00 -0.272189D+00  0.115949D+01
                21            22            23            24            25 
      1  -0.272189D+00 -0.918590D+00 -0.181219D+01  0.529281D+00  0.111823D+02
      2   0.115949D+01 -0.181219D+01 -0.385747D+00  0.337181D+01 -0.721631D+00
      3  -0.273092D+01  0.529281D+00  0.337181D+01  0.533285D+00  0.118968D+01
                26            27            28            29            30 
      1  -0.721631D+00  0.118968D+01 -0.259819D+02 -0.496036D+00  0.523824D+00
      2   0.221281D+01  0.261863D+00 -0.496036D+00 -0.167710D+01 -0.100454D+00
      3   0.261863D+00  0.581962D+00  0.523824D+00 -0.100454D+00 -0.270591D+01
                31            32            33            34            35 
      1   0.269574D+01 -0.489848D+01 -0.269141D-01  0.135717D+01 -0.197433D+00
      2  -0.489848D+01  0.612638D+00 -0.118758D+00 -0.197433D+00 -0.609081D+00
      3  -0.269141D-01 -0.118758D+00  0.274775D+00 -0.597291D+00 -0.433993D+00
                36            37            38            39            40 
      1  -0.597291D+00  0.797239D+01 -0.329319D+00 -0.375813D+00  0.902844D-01
      2  -0.433993D+00 -0.329319D+00 -0.165747D+01 -0.857459D+00 -0.168020D+01
      3   0.112775D+01 -0.375813D+00 -0.857459D+00 -0.241377D+01 -0.587248D+00
                41            42            43            44            45 
      1  -0.168020D+01 -0.587248D+00 -0.124141D+02  0.426687D+00  0.448700D+00
      2   0.653391D+00 -0.282153D+01  0.426687D+00 -0.157270D+01 -0.797457D-01
      3  -0.282153D+01 -0.170579D+00  0.448700D+00 -0.797457D-01 -0.107412D+01
                46            47            48            49            50 
      1  -0.976062D+01  0.969150D-01  0.622553D+00  0.186370D+01  0.134913D+01
      2   0.969150D-01  0.143304D+01  0.127185D+00  0.134913D+01 -0.456693D+00
      3   0.622553D+00  0.127185D+00  0.140888D+01 -0.626247D+00 -0.322146D+01
                51            52            53            54            55 
      1  -0.626247D+00 -0.103812D+02 -0.369022D+00 -0.483544D+00 -0.135962D+02
      2  -0.322146D+01 -0.369022D+00 -0.186167D+01 -0.103712D-01 -0.212348D+01
      3  -0.728818D+00 -0.483544D+00 -0.103712D-01 -0.790229D+00  0.482535D+00
                56            57            58            59            60 
      1  -0.212348D+01  0.482535D+00 -0.756544D+01 -0.718710D+01  0.513517D+00
      2  -0.309556D+01  0.358470D+00 -0.718710D+01 -0.199150D-01  0.166736D+01
      3   0.358470D+00 -0.202164D+01  0.513517D+00  0.166736D+01  0.305288D+01
                61            62            63            64            65 
      1   0.423198D+01  0.666687D+00 -0.404523D+01 -0.102875D+01  0.257427D+01
      2   0.666687D+00  0.223832D+01  0.411320D+01  0.257427D+01  0.360793D+01
      3  -0.404523D+01  0.411320D+01 -0.980016D+00  0.279477D+01 -0.982885D+00
                66            67            68            69            70 
      1   0.279477D+01  0.116138D+02  0.671231D+01 -0.204903D+01  0.798585D+00
      2  -0.982885D+00  0.671231D+01  0.128655D+01 -0.195743D+01 -0.131953D+01
      3   0.250420D+01 -0.204903D+01 -0.195743D+01 -0.363960D+01  0.384614D+01
                71            72            73            74            75 
      1  -0.131953D+01  0.384614D+01  0.476055D+01 -0.160056D+01 -0.240157D+01
      2  -0.251458D+01 -0.400268D+01 -0.160056D+01 -0.344194D+01  0.122034D+01
      3  -0.400268D+01  0.317325D+01 -0.240157D+01  0.122034D+01 -0.239605D+01
                76            77            78            79            80 
      1  -0.384983D+01 -0.576218D+01  0.165894D+01 -0.229587D+01  0.134715D+01
      2  -0.576218D+01 -0.221752D+01  0.324921D+01  0.134715D+01  0.289895D+01
      3   0.165894D+01  0.324921D+01  0.367678D+01 -0.395285D+01  0.388108D+01
                81            82            83            84            85 
      1  -0.395285D+01  0.591554D+01 -0.266414D+01 -0.195435D+01 -0.378404D+01
      2   0.388108D+01 -0.266414D+01 -0.341642D+01  0.844099D+00 -0.424258D+01
      3  -0.362845D-01 -0.195435D+01  0.844099D+00 -0.210660D+01  0.149435D+01
                86            87            88            89            90 
      1  -0.424258D+01  0.149435D+01 -0.163227D+01  0.126195D+01 -0.269899D+01
      2  -0.408567D+01  0.207772D+01  0.126195D+01  0.344128D+01  0.278044D+01
      3   0.207772D+01  0.312420D+01 -0.269899D+01  0.278044D+01 -0.316521D+01
                91            92            93            94            95 
      1   0.353692D+01  0.252493D+01 -0.236927D+00  0.121732D+01  0.621961D+01
      2   0.252493D+01  0.254069D+01  0.752694D+00  0.621961D+01 -0.204195D+01
      3  -0.236927D+00  0.752694D+00  0.108770D+01  0.615534D+00  0.152459D+01
                96            97            98            99           100 
      1   0.615534D+00  0.359020D+01  0.534001D+00  0.170826D+01  0.174309D+01
      2   0.152459D+01  0.534001D+00  0.349795D+01 -0.387803D+00 -0.658187D+00
      3  -0.279852D+00  0.170826D+01 -0.387803D+00 -0.491992D+01  0.175482D+01
               101           102           103           104           105 
      1  -0.658187D+00  0.175482D+01 -0.211976D+00 -0.156878D+01 -0.515868D+00
      2  -0.634350D+00 -0.506409D+00 -0.156878D+01  0.314278D+01 -0.154329D+01
      3  -0.506409D+00  0.673198D+00 -0.515868D+00 -0.154329D+01  0.193947D+00
               106           107           108           109           110 
      1   0.240362D+01 -0.125836D+01  0.188355D+01 -0.443562D+01  0.793710D+00
      2  -0.125836D+01 -0.936961D+00 -0.109863D+01  0.793710D+00 -0.838036D+00
      3   0.188355D+01 -0.109863D+01  0.435824D+01 -0.377756D+01  0.400781D+00
               111           112           113           114           115 
      1  -0.377756D+01  0.538496D+00 -0.125939D+01  0.710392D+00 -0.735049D+01
      2   0.400781D+00 -0.125939D+01  0.225508D+00 -0.176795D+01  0.206922D+01
      3  -0.208824D+01  0.710392D+00 -0.176795D+01  0.826111D+00 -0.410219D+01
               116           117           118           119           120 
      1   0.206922D+01 -0.410219D+01  0.746246D+00  0.391877D+00  0.130367D+01
      2  -0.321620D+01  0.136223D+01  0.391877D+00  0.200213D+01 -0.245319D+00
      3   0.136223D+01 -0.905169D+01  0.130367D+01 -0.245319D+00  0.180094D+00
               121           122           123           124           125 
      1   0.517694D+00  0.140765D+01 -0.576007D+00  0.295229D+01 -0.189387D+01
      2   0.140765D+01 -0.282666D+01  0.284014D+01 -0.189387D+01  0.548143D+01
      3  -0.576007D+00  0.284014D+01  0.670275D-01 -0.351100D+00  0.175933D+01
               126           127           128           129           130 
      1  -0.351100D+00  0.345211D+01 -0.421378D+00  0.271397D+01 -0.112627D+01
      2   0.175933D+01 -0.421378D+00  0.482020D+00 -0.516118D+00  0.125880D+00
      3   0.312170D+01  0.271397D+01 -0.516118D+00  0.283950D+01 -0.622809D+00
               131           132           133           134           135 
      1   0.125880D+00 -0.622809D+00  0.292115D+01 -0.436060D+00  0.341031D+01
      2  -0.255320D+00  0.271918D+00 -0.436060D+00  0.967460D+00 -0.101967D+01
      3   0.271918D+00 -0.780402D+00  0.341031D+01 -0.101967D+01  0.669316D+01
               136           137           138           139           140 
      1  -0.230586D+01 -0.808211D-01  0.231247D+01  0.168959D+00  0.373333D-01
      2  -0.808211D-01 -0.213233D+00  0.692705D-01  0.373333D-01 -0.712888D-01
      3   0.231247D+01  0.692705D-01 -0.247393D+01 -0.833695D-01  0.176941D+00
               141           142           143           144           145 
      1  -0.833695D-01  0.222439D+01  0.249781D+00 -0.309002D+01 -0.364974D+01
      2   0.176941D+00  0.249781D+00  0.830359D+00 -0.535501D+00  0.531472D+00
      3  -0.288131D+00 -0.309002D+01 -0.535501D+00  0.850067D+01 -0.215232D+01
               146           147           148           149           150 
      1   0.531472D+00 -0.215232D+01  0.925738D+00 -0.154199D+00  0.508479D+00
      2  -0.525146D+00  0.209994D+00 -0.154199D+00  0.204252D+00 -0.207029D+00
      3   0.209994D+00 -0.200681D+01  0.508479D+00 -0.207029D+00  0.620636D+00
               151           152           153           154           155 
      1  -0.278173D+01  0.199865D+00 -0.294037D+01  0.222491D+01  0.419121D-01
      2   0.199865D+00 -0.800395D+00  0.449771D+00  0.419121D-01  0.216175D+00
      3  -0.294037D+01  0.449771D+00 -0.558662D+01 -0.217267D+01  0.156248D+00
               156           157           158           159           160 
      1  -0.217267D+01 -0.205299D+00 -0.280574D-01  0.116714D+00 -0.247123D+01
      2   0.156248D+00 -0.280574D-01 -0.485460D-01 -0.217936D+00 -0.882855D-01
      3   0.215775D+01  0.116714D+00 -0.217936D+00  0.118833D+00  0.303765D+01
               161           162           163           164           165 
      1  -0.882855D-01  0.303765D+01  0.253174D+01 -0.116829D+01 -0.142876D+01
      2  -0.784997D+00 -0.152195D+00 -0.116829D+01  0.142789D+01  0.553923D+00
      3  -0.152195D+00 -0.787453D+01 -0.142876D+01  0.553923D+00  0.772409D+00
               166           167           168           169           170 
      1  -0.148588D+01  0.249268D+01  0.948918D+00 -0.562580D+01  0.936800D+00
      2   0.249268D+01 -0.429700D+01 -0.243946D+01  0.936800D+00 -0.326033D+01
      3   0.948918D+00 -0.243946D+01 -0.190748D+01  0.240468D+01 -0.269982D+01
               171           172           173           174           175 
      1   0.240468D+01  0.246614D+01 -0.922020D+00  0.178398D+01 -0.205101D+00
      2  -0.269982D+01 -0.922020D+00  0.142688D+01 -0.698423D+00  0.164884D+01
      3  -0.304847D+01  0.178398D+01 -0.698423D+00  0.125665D+01 -0.597025D+00
               176           177           178           179           180 
      1   0.164884D+01 -0.597025D+00  0.437545D+01 -0.841064D+00  0.198097D+01
      2  -0.193923D+01  0.114771D+01 -0.841064D+00  0.198486D+01 -0.213854D+01
      3   0.114771D+01 -0.121420D+01  0.198097D+01 -0.213854D+01  0.354238D+01
               181           182           183           184           185 
      1  -0.159693D+01  0.118323D-01 -0.176072D+01 -0.288644D+00 -0.939167D+00
      2   0.118323D-01 -0.110095D+01  0.443169D+00 -0.939167D+00  0.142840D+01
      3  -0.176072D+01  0.443169D+00 -0.139318D+01  0.376764D+00 -0.115602D+01
               186           187           188           189           190 
      1   0.376764D+00 -0.276461D+01  0.237169D+00 -0.118375D+01  0.912541D+00
      2  -0.115602D+01  0.237169D+00 -0.133445D+01  0.186240D+01 -0.999145D+00
      3   0.207391D+01 -0.118375D+01  0.186240D+01 -0.537658D+01 -0.111370D+01
               191           192           193           194           195 
      1  -0.999145D+00 -0.111370D+01 -0.222864D+01  0.195144D+01  0.128493D+01
      2   0.794709D+00  0.442381D+00  0.195144D+01 -0.300305D+01 -0.260350D+01
      3   0.442381D+00  0.113036D+01  0.128493D+01 -0.260350D+01 -0.297025D+01
               196           197           198           199           200 
      1  -0.258379D+01  0.990551D+00  0.269454D+01  0.376941D+01 -0.833165D+00
      2   0.990551D+00 -0.259839D+01 -0.272602D+01 -0.833165D+00  0.114566D+01
      3   0.269454D+01 -0.272602D+01 -0.488394D+01  0.194592D+01 -0.606980D+00
               201           202           203           204           205 
      1   0.194592D+01 -0.167673D+01  0.179695D+01 -0.837640D+00  0.473977D+01
      2  -0.606980D+00  0.179695D+01 -0.114068D+01  0.682257D+00 -0.105033D+01
      3   0.170962D+01 -0.837640D+00  0.682257D+00 -0.148040D+01  0.275640D+01
               206           207           208           209           210 
      1  -0.105033D+01  0.275640D+01  0.440792D+01  0.284193D+01 -0.101470D+01
      2   0.123866D+01 -0.142913D+01  0.284193D+01  0.240579D+01 -0.803740D+00
      3  -0.142913D+01  0.373135D+01 -0.101470D+01 -0.803740D+00  0.951961D+00
               211           212           213           214           215 
      1   0.607341D+01  0.444677D+01 -0.168018D+01 -0.135186D+01 -0.105640D+01
      2   0.444677D+01  0.559060D+01 -0.168195D+01 -0.105640D+01 -0.143420D+01
      3  -0.168018D+01 -0.168195D+01  0.122270D+01  0.181415D+01  0.816192D+00
               216           217           218           219           220 
      1   0.181415D+01  0.131801D+01  0.184396D+00  0.186114D+01 -0.608092D+00
      2   0.816192D+00  0.184396D+00  0.101499D+01 -0.318771D-01  0.682630D+00
      3  -0.119596D+01  0.186114D+01 -0.318771D-01  0.225949D+01 -0.615232D+00
               221           222           223           224           225 
      1   0.682630D+00 -0.615232D+00  0.234806D+01  0.304297D-01  0.226297D+01
      2  -0.253899D+00  0.650854D+00  0.304297D-01  0.109695D+01 -0.181007D+00
      3   0.650854D+00 -0.173771D+01  0.226297D+01 -0.181007D+00  0.637513D+01
               226           227           228           229           230 
      1  -0.876864D+01  0.575206D+00  0.113587D+01 -0.297515D-01 -0.138083D+01
      2   0.575206D+00 -0.194205D+01 -0.780007D+00 -0.138083D+01  0.114220D+01
      3   0.113587D+01 -0.780007D+00 -0.100400D+01 -0.584668D+00  0.520946D-01
               231           232           233           234           235 
      1  -0.584668D+00  0.103447D+01 -0.461458D+00 -0.580034D+00  0.225181D+01
      2   0.520946D-01 -0.461458D+00 -0.113410D+00  0.171670D+00  0.284061D+01
      3   0.677207D-01 -0.580034D+00  0.171670D+00  0.982276D+00  0.110884D+00
               236           237           238           239           240 
      1   0.284061D+01  0.110884D+00  0.296095D+01  0.396519D+01 -0.139520D+00
      2   0.328844D+01  0.372621D-01  0.396519D+01  0.890946D+01 -0.171789D+00
      3   0.372621D-01  0.767372D+00 -0.139520D+00 -0.171789D+00  0.753336D+00
               241           242           243           244           245 
      1  -0.853954D+00 -0.801049D+00  0.860896D+00  0.243300D+00 -0.397711D+00
      2  -0.801049D+00 -0.180997D+01  0.778921D+00 -0.397711D+00 -0.538870D+00
      3   0.860896D+00  0.778921D+00 -0.212010D+00  0.171475D+01 -0.124954D+00
               246           247           248           249           250 
      1   0.171475D+01 -0.473934D+00 -0.103188D+01 -0.867820D-01  0.293955D+01
      2  -0.124954D+00 -0.103188D+01  0.259724D+00  0.807303D+00 -0.671942D-01
      3  -0.125636D+01 -0.867820D-01  0.807303D+00  0.693430D-02 -0.211133D+01
               251           252           253           254           255 
      1  -0.671942D-01 -0.211133D+01  0.890724D+01 -0.804909D+00 -0.140760D+01
      2   0.116452D+01  0.114217D+00 -0.804909D+00 -0.380389D+01 -0.759312D-01
      3   0.114217D+00  0.650657D+01 -0.140760D+01 -0.759312D-01 -0.108457D+01
               256           257           258           259           260 
      1  -0.609583D+01 -0.445641D+01 -0.608474D+00 -0.445588D+01 -0.819595D+00
      2  -0.445641D+01  0.162710D+01 -0.266168D+01 -0.819595D+00 -0.372729D+01
      3  -0.608474D+00 -0.266168D+01  0.460664D+00 -0.140434D+01  0.115604D+01
               261           262           263           264           265 
      1  -0.140434D+01 -0.108675D+01  0.150765D+01  0.420095D-01  0.159600D+01
      2   0.115604D+01  0.150765D+01 -0.202323D+01  0.558999D-01 -0.262455D+01
      3   0.405315D+01  0.420095D-01  0.558999D-01 -0.300489D+00  0.178006D+00
               266           267           268           269           270 
      1  -0.262455D+01  0.178006D+00 -0.733804D+00  0.123529D+01 -0.435614D+00
      2   0.862529D+01 -0.375898D+00  0.123529D+01 -0.350105D+01  0.105893D+01
      3  -0.375898D+00  0.118569D+01 -0.435614D+00  0.105893D+01 -0.390577D+00
               271           272           273           274           275 
      1  -0.408249D+00  0.865863D-01 -0.666634D+00  0.574747D+00  0.335068D+00
      2   0.865863D-01  0.678822D+00  0.172330D+00  0.335068D+00 -0.416629D+00
      3  -0.666634D+00  0.172330D+00  0.347667D+00 -0.439270D-01 -0.676523D+00
               276           277           278           279           280 
      1  -0.439270D-01 -0.205396D+01 -0.525603D+00 -0.480824D+00 -0.155178D+02
      2  -0.676523D+00 -0.525603D+00 -0.171573D+01 -0.142220D+01 -0.203506D+01
      3  -0.766992D+00 -0.480824D+00 -0.142220D+01 -0.589288D+01  0.496223D+00
               281           282           283           284           285 
      1  -0.203506D+01  0.496223D+00  0.864355D+00 -0.104498D+01  0.478265D-01
      2  -0.149311D+01 -0.512151D-01 -0.104498D+01 -0.227229D+00  0.320671D+00
      3  -0.512151D-01 -0.963152D+00  0.478265D-01  0.320671D+00  0.880096D-01
               286           287           288           289           290 
      1   0.168974D+01  0.354398D+00 -0.131647D+01 -0.889573D-01 -0.810638D+00
      2   0.354398D+00  0.634878D+00 -0.296086D+00 -0.810638D+00  0.212333D+01
      3  -0.131647D+01 -0.296086D+00 -0.340535D-01  0.556703D+00 -0.283991D+00
               291           292           293           294           295 
      1   0.556703D+00 -0.107234D+01  0.194539D-01  0.244321D-02  0.134235D+01
      2  -0.283991D+00  0.194539D-01 -0.749120D+01  0.174557D+01  0.333110D+00
      3   0.466539D+00  0.244321D-02  0.174557D+01 -0.134339D+01  0.709274D-01
               296           297 
      1   0.333110D+00  0.709274D-01
      2   0.297066D+01 -0.160997D+01
      3  -0.160997D+01  0.859364D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234535D+01  0.292323D+01  0.187832D+01  0.906443D+01  0.169095D+01
      2   0.545409D+01 -0.165554D+01  0.356130D+01 -0.203119D+01 -0.105646D+01
      3   0.125081D+02 -0.185338D+01 -0.361427D+00  0.102613D+02  0.962906D-02
                 6             7             8             9            10 
      1  -0.207888D+01 -0.100248D+01  0.313099D+01  0.310980D+00 -0.390654D+01
      2  -0.204412D+00 -0.921661D+01  0.267062D+00  0.194185D+00 -0.145155D+02
      3  -0.450649D+01 -0.122878D+02 -0.234616D+01  0.979755D+00 -0.275521D+02
                11            12            13            14            15 
      1  -0.752848D+00  0.174012D+01  0.151614D+01  0.418219D+00 -0.992678D+01
      2   0.335857D-01 -0.244175D+01  0.187767D+01 -0.211051D+01 -0.113204D+00
      3  -0.471602D+00  0.581970D+00  0.111381D+02 -0.207547D+01  0.101388D+00
                16            17            18            19            20 
      1  -0.297600D+01 -0.397058D+01 -0.669780D+00 -0.249442D+01 -0.136605D+01
      2  -0.226017D+02 -0.291378D+01 -0.342840D+01 -0.751133D+01  0.270149D+00
      3   0.260236D+01  0.689783D+00 -0.815679D-01 -0.108603D+02  0.222851D+00
                21            22            23            24            25 
      1  -0.112781D+01 -0.536183D+01  0.227807D+01 -0.100945D-02 -0.127049D+00
      2   0.811843D+01 -0.134126D+01  0.465993D+00 -0.135834D+01 -0.111792D+02
      3  -0.532497D-01  0.113503D+02  0.736202D+00  0.281250D+01 -0.105907D+02
                26            27            28            29            30 
      1   0.407141D+01  0.919271D+00  0.144761D+01 -0.222510D+00 -0.255327D+01
      2   0.683836D+00  0.149576D+01  0.106450D+02  0.115863D+01 -0.343798D+01
      3   0.372034D+01 -0.170603D+01  0.226654D+02 -0.217519D+00 -0.116854D+01
                31            32            33            34            35 
      1  -0.293032D+01  0.120036D+01 -0.951453D+01 -0.445173D+01 -0.296776D+01
      2  -0.568163D+00  0.288779D+01  0.131421D+01 -0.245683D+02  0.113342D+01
      3   0.736417D+01  0.419975D+01 -0.515650D+00 -0.206061D+00 -0.387814D+01
                36            37            38            39            40 
      1  -0.111215D+00 -0.115827D+01  0.113124D+01 -0.126785D+01  0.641362D+01
      2  -0.408354D+00 -0.941709D+01 -0.150111D+01  0.572962D+01 -0.100535D+01
      3   0.394017D+01 -0.819805D+01 -0.505174D+00  0.154234D+01  0.129513D+02
                41            42            43            44            45 
      1  -0.235240D+01 -0.328700D+01  0.280038D+01  0.217282D+01 -0.108980D+01
      2  -0.112553D+01  0.180742D+00  0.329115D+01  0.460331D+00 -0.288766D+01
      3   0.591684D-02 -0.310926D+01  0.120528D+02 -0.191228D+01 -0.189874D+01
                46            47            48            49            50 
      1   0.286299D+01 -0.149124D+01  0.139302D+01 -0.606080D+01 -0.140028D+01
      2   0.103833D+02  0.186335D+00  0.104811D+02 -0.112929D+01  0.610284D+00
      3   0.133562D+02 -0.511520D+00  0.481894D+00  0.121402D+02 -0.471288D+00
                51            52            53            54            55 
      1  -0.258205D+01  0.119752D+01  0.305964D+01 -0.230912D+00  0.323010D+01
      2  -0.188118D+01  0.205853D+01 -0.157367D+00  0.494719D+01  0.237643D+01
      3   0.308987D+01  0.110706D+02  0.136128D+01  0.918008D+00  0.148868D+02
                56            57            58            59            60 
      1   0.180221D+01 -0.133102D+01  0.510153D+01  0.421783D+01  0.178763D+01
      2   0.275495D+00 -0.430042D+01  0.123443D+01  0.624597D+01  0.137484D+02
      3   0.752787D+01 -0.865595D+00  0.368142D+02  0.806692D+01 -0.565645D+01
                61            62            63            64            65 
      1  -0.202633D+01  0.712244D+01 -0.182463D+01 -0.438883D+01 -0.938295D+00
      2  -0.234390D+02  0.151123D+02 -0.563364D+01  0.858258D+01 -0.336351D+01
      3  -0.707139D+01 -0.714035D+01 -0.991206D+01 -0.173053D+02 -0.189943D+02
                66            67            68            69            70 
      1  -0.162262D+01 -0.226337D+01 -0.632975D+00  0.195270D+00  0.171835D+01
      2   0.153261D+02 -0.820735D+01 -0.667741D+01 -0.183031D+02  0.121417D+02
      3   0.551390D+01 -0.282716D+02 -0.588736D+01  0.613358D+01  0.970671D+01
                71            72            73            74            75 
      1   0.739875D+01 -0.777350D+00  0.187362D+01  0.223537D+01 -0.481066D+00
      2  -0.177088D+02  0.166018D+02 -0.904225D+01  0.551190D+01 -0.142533D+02
      3   0.923264D+01  0.172391D+02  0.947668D+01  0.175757D+02 -0.719274D+01
                76            77            78            79            80 
      1   0.420142D+01  0.830366D+00 -0.539705D+01 -0.929679D-01 -0.168456D+01
      2   0.699228D+01  0.142349D+02  0.233907D+02 -0.293042D+02  0.228661D+02
      3   0.371399D+02  0.111670D+02 -0.185243D+02 -0.744673D+01 -0.160708D+02
                81            82            83            84            85 
      1  -0.252685D+01  0.304519D+01 -0.489552D+01  0.498174D+01 -0.641619D+01
      2  -0.172140D+01 -0.146807D+02  0.681479D+01 -0.262847D+01  0.864832D+01
      3  -0.221128D+02  0.226328D+02  0.490778D+01 -0.791213D+01  0.133039D+02
                86            87            88            89            90 
      1  -0.102496D+02 -0.706872D+01  0.644344D+01 -0.644208D+00  0.937591D+01
      2   0.104598D+02  0.100545D+02 -0.906021D+01  0.889393D+01 -0.102154D+02
      3   0.847081D+01 -0.567914D+01 -0.910384D+01 -0.101799D+02 -0.136142D+02
                91            92            93            94            95 
      1   0.809011D+00  0.797617D+00  0.194099D+01  0.190899D+01 -0.626783D+00
      2  -0.422042D+01 -0.315800D+01  0.269550D+00  0.594402D+00 -0.938755D+01
      3  -0.659082D-01  0.276113D+01  0.257105D+01  0.326113D+02 -0.107970D+02
                96            97            98            99           100 
      1  -0.347745D+01  0.250569D+01  0.475132D+01 -0.189987D+01 -0.105377D+01
      2   0.428385D+00 -0.168964D+02  0.189283D+01  0.175592D+02  0.468265D+01
      3   0.562161D+01 -0.270857D+01  0.107007D+02 -0.292350D+01  0.119872D+02
               101           102           103           104           105 
      1  -0.595008D+01 -0.315403D+01 -0.188071D+01  0.115683D+00  0.590122D+00
      2  -0.147964D+00  0.402484D+01 -0.221101D+01  0.701244D+01  0.449522D+01
      3  -0.166751D+02 -0.112856D+01 -0.954100D+01  0.440123D+01 -0.243701D+01
               106           107           108           109           110 
      1  -0.591370D+01 -0.483903D+00 -0.455723D+01  0.438809D+01  0.350127D+01
      2  -0.511335D+01  0.463445D+01 -0.230800D+02  0.932321D+01 -0.113641D+01
      3  -0.405542D+01  0.484831D+01 -0.254617D+01 -0.361238D+01 -0.280657D+01
               111           112           113           114           115 
      1   0.277632D+01  0.685194D+00  0.115019D+01 -0.340300D+01  0.349032D+01
      2   0.877849D+01  0.268468D+00  0.605518D+01 -0.495235D+01  0.686929D+01
      3  -0.113853D+01 -0.573525D+00  0.232411D+01 -0.643481D+01  0.880445D+01
               116           117           118           119           120 
      1   0.796302D+01  0.111041D+02 -0.351483D+01  0.237746D+01 -0.607350D+00
      2  -0.391829D+01  0.357391D+02 -0.575413D+01  0.171284D+01  0.998842D+00
      3  -0.156371D+02  0.355073D+01  0.701411D+00  0.705149D+01  0.166655D+01
               121           122           123           124           125 
      1   0.332343D+00 -0.451394D+01 -0.367127D+01 -0.253454D+01  0.626776D+01
      2  -0.512540D+00 -0.994990D+01 -0.124796D+01 -0.242895D+01 -0.495603D+01
      3   0.652540D+01 -0.489670D+01  0.881831D+01 -0.413377D+01  0.161645D+02
               126           127           128           129           130 
      1  -0.809167D+01  0.212742D+01  0.201614D+01  0.208054D+01 -0.102757D+01
      2  -0.106897D+02 -0.623818D+01 -0.347975D-01 -0.106313D+01  0.152676D+01
      3   0.607798D+01 -0.331742D+01 -0.134828D+01 -0.195568D+01  0.281392D+01
               131           132           133           134           135 
      1  -0.117262D+00 -0.219674D+01  0.289163D+01  0.305852D+01  0.477413D+01
      2  -0.439573D-01 -0.228410D+00 -0.429452D+01 -0.245404D+00  0.123516D+01
      3   0.377225D+00  0.379581D+00 -0.273887D+01 -0.202708D+01 -0.206592D+01
               136           137           138           139           140 
      1   0.176884D+01 -0.170630D+01 -0.192143D+01  0.358415D+00  0.178434D+00
      2   0.511925D+01  0.746745D-01 -0.167549D+01 -0.546343D+00 -0.236239D-01
      3   0.163652D+01 -0.760213D+00 -0.163294D+01  0.126873D+01 -0.490923D-01
               141           142           143           144           145 
      1  -0.183268D+01 -0.192107D+01  0.389734D+01  0.529187D+01 -0.247936D+01
      2   0.442576D+00 -0.482599D+01 -0.180965D+00 -0.104618D+01 -0.752894D+01
      3   0.129941D-01 -0.142626D+01  0.165962D+01  0.195434D+01  0.265926D+01
               146           147           148           149           150 
      1   0.257833D+01 -0.140290D+01  0.435307D+00 -0.543896D+00 -0.107907D+01
      2   0.116058D+01 -0.143860D+01  0.125083D+01 -0.238081D+00  0.330047D+00
      3  -0.156149D+01  0.144009D+01  0.691472D+00  0.420414D+00 -0.190082D+00
               151           152           153           154           155 
      1  -0.182664D+01  0.349698D+01 -0.348882D+01 -0.205210D+01 -0.157848D+01
      2  -0.434667D+01 -0.150288D-01  0.103823D+01  0.464426D+01  0.423738D+00
      3   0.157019D+01 -0.225926D+01  0.206104D+01 -0.138916D+01 -0.702874D+00
               156           157           158           159           160 
      1   0.131905D+01  0.164077D+00 -0.209303D+00 -0.167724D+01  0.259876D+01
      2  -0.132612D+01 -0.117043D+00 -0.279770D+00 -0.108219D+00 -0.464078D+01
      3   0.123463D+01  0.173386D+01  0.238991D+00 -0.112376D-01  0.196999D+01
               161           162           163           164           165 
      1   0.387145D+01 -0.533881D+01 -0.117352D+01 -0.108176D+00  0.147595D+01
      2  -0.347180D+00 -0.233635D+01 -0.500937D+01  0.153898D+01  0.433701D+01
      3   0.189819D+01 -0.175241D+01 -0.265908D+00 -0.443255D+01 -0.296327D-01
               166           167           168           169           170 
      1   0.472463D+00 -0.136806D+01 -0.366228D+01  0.276936D+01 -0.109352D+01
      2   0.240665D+01 -0.855840D+01 -0.739471D+01  0.595472D+01 -0.100097D+02
      3  -0.371635D+01  0.107375D+02  0.588107D+01  0.367921D+01  0.968235D+01
               171           172           173           174           175 
      1  -0.402308D+01  0.200663D+01 -0.313965D+00  0.194745D+01 -0.144691D+01
      2  -0.100677D+02  0.673974D+01 -0.254001D+01  0.601167D+01 -0.173178D+01
      3   0.563077D+01 -0.769048D-01 -0.490574D+01  0.456451D+00 -0.241322D+01
               176           177           178           179           180 
      1   0.805133D+00 -0.318238D+01  0.208411D+01 -0.664947D+00  0.531919D+01
      2   0.353818D+01 -0.485946D+01  0.290739D+01 -0.774141D+01  0.133540D+02
      3   0.439963D+01 -0.236824D+01 -0.268791D+01 -0.601849D+01  0.432120D+01
               181           182           183           184           185 
      1   0.230792D+01  0.128073D+01  0.151809D+01  0.367210D+00 -0.589588D+00
      2  -0.103991D+02  0.184499D+01 -0.665026D+01  0.196449D+01 -0.519275D+01
      3  -0.258946D+01  0.338423D+01 -0.287084D+01  0.602045D+01 -0.559934D+01
               186           187           188           189           190 
      1  -0.210582D+01  0.158061D+01  0.174201D+01  0.325997D+01  0.127921D+01
      2   0.789441D+01 -0.107167D+02  0.730332D+01 -0.220405D+02 -0.550380D+01
      3   0.476178D+01 -0.340469D+01  0.482264D+01 -0.878482D+01  0.538498D+01
               191           192           193           194           195 
      1  -0.101947D+01 -0.271554D+00 -0.162563D+01  0.412384D+01  0.113620D+01
      2   0.168378D+01  0.615717D+01  0.373998D+01 -0.127846D+02 -0.162988D+02
      3  -0.533776D+01 -0.278608D+01 -0.819957D+01  0.168800D+02  0.140216D+02
               196           197           198           199           200 
      1  -0.118639D+01  0.484095D+01  0.232936D+01  0.144694D+00 -0.220526D-02
      2   0.991554D+01 -0.145260D+02 -0.247627D+02  0.128948D+02 -0.408392D+01
      3  -0.443334D+01  0.149245D+02  0.149419D+02  0.489374D+01 -0.772741D+01
               201           202           203           204           205 
      1   0.574700D+00 -0.811150D+00 -0.752629D-01 -0.123012D+01 -0.167786D-01
      2   0.125315D+02 -0.528520D+01  0.492256D+01 -0.975250D+01  0.154802D+02
      3   0.368616D+01 -0.820795D+01  0.677727D+01 -0.376397D+01  0.571240D+01
               206           207           208           209           210 
      1   0.156740D+01  0.733577D+00 -0.200606D+01 -0.206097D+01 -0.605907D+00
      2  -0.883934D+01  0.238785D+02 -0.198686D+01 -0.227536D+01  0.654789D+01
      3  -0.800941D+01  0.828255D+01 -0.134051D+02 -0.146303D+02  0.428149D+01
               211           212           213           214           215 
      1  -0.252659D+01 -0.449299D+01 -0.131912D+01  0.237043D-01  0.189796D+01
      2  -0.444393D+01 -0.613627D+01  0.666473D+01  0.770936D+01  0.333173D+01
      3  -0.200724D+02 -0.310828D+02  0.873643D+01  0.513979D+01  0.816275D+01
               216           217           218           219           220 
      1   0.320171D+00 -0.376940D+01  0.186504D+01 -0.438236D+01  0.156259D+01
      2  -0.530006D+01  0.541466D+01  0.135153D+00  0.757903D+01 -0.595943D+00
      3  -0.372300D+01  0.587065D+00 -0.454705D+01  0.257502D+01 -0.204565D+01
               221           222           223           224           225 
      1  -0.222386D+01  0.299137D+01 -0.429687D+01  0.467523D+01 -0.124225D+02
      2   0.185079D+01 -0.659933D+01  0.250814D+01 -0.767222D+00  0.212551D+02
      3   0.249363D+01 -0.292093D+01  0.322697D+01 -0.501569D+01  0.358357D+01
               226           227           228           229           230 
      1  -0.353047D+01 -0.887319D+00  0.227635D+01 -0.656872D+00  0.283409D+00
      2   0.150726D+02 -0.280747D+01 -0.315047D+01 -0.159940D+01  0.184544D+01
      3  -0.225734D+02  0.549812D+01  0.494875D+01  0.650643D+01 -0.538880D+01
               231           232           233           234           235 
      1  -0.549320D+00  0.243619D+01  0.132234D+01 -0.177245D+01  0.192622D+01
      2  -0.636284D-01 -0.616365D+01  0.537846D+00  0.334453D+01 -0.121737D+01
      3  -0.129249D+01  0.403159D+01 -0.759007D-01 -0.195234D+01 -0.631137D+01
               236           237           238           239           240 
      1   0.306132D+01 -0.290323D+01  0.448082D+01  0.790507D+01 -0.449389D+01
      2  -0.192848D+01  0.394225D+01 -0.325900D+01 -0.382839D+01  0.400418D+01
      3  -0.910530D+01 -0.676652D-01 -0.600286D+01 -0.273968D+02  0.686915D-01
               241           242           243           244           245 
      1  -0.222380D+01 -0.165505D+01  0.133939D+01  0.473477D+00 -0.697162D+00
      2   0.265530D+01  0.306623D+01 -0.117355D+01 -0.669294D+01  0.569545D+00
      3   0.177396D+01  0.585352D+01 -0.146190D+01 -0.869114D+00 -0.238756D+01
               246           247           248           249           250 
      1  -0.771068D+00 -0.418740D+00  0.802429D+00 -0.268477D+00 -0.125493D+01
      2   0.401371D+01  0.372114D+00 -0.176091D+01  0.779831D-01  0.161953D+01
      3  -0.119002D+01 -0.153123D+01  0.103484D+01  0.230212D+01 -0.120782D+01
               251           252           253           254           255 
      1   0.333264D+01  0.259814D+01 -0.190429D+01  0.716705D+00 -0.304448D+01
      2  -0.495108D+00 -0.206968D+02  0.992559D+01  0.139627D+01  0.726479D+01
      3   0.334922D+01  0.193030D+01 -0.202203D+02 -0.167205D+02  0.195027D+01
               256           257           258           259           260 
      1  -0.140609D+01 -0.656916D+01  0.672811D+00 -0.829090D+00  0.606124D+01
      2   0.437538D+01  0.112427D+02 -0.350251D+01  0.485094D+01 -0.527516D+01
      3  -0.838053D+01  0.138947D+02 -0.997969D+01  0.132326D+01 -0.128075D+02
               261           262           263           264           265 
      1   0.867153D+01  0.772526D+00 -0.124043D+01  0.940054D+00 -0.230633D+01
      2  -0.193546D+02  0.203920D+00 -0.850628D+00  0.836175D+00 -0.970434D+00
      3   0.621651D+01  0.311331D+01 -0.468398D+01 -0.609253D+00 -0.396677D+01
               266           267           268           269           270 
      1   0.700235D+01 -0.362434D+01  0.126376D+01 -0.308428D+01  0.241593D+01
      2   0.268902D+01 -0.408322D+01  0.110826D+01 -0.384192D+01  0.183249D+01
      3   0.257407D+02 -0.965768D+00  0.241107D+01 -0.109865D+02  0.316672D+01
               271           272           273           274           275 
      1  -0.178838D+01 -0.509685D+00  0.899222D+00 -0.311189D+00 -0.203836D+01
      2   0.476182D+01 -0.490975D+00 -0.207292D+01  0.862404D+00  0.296377D+01
      3   0.183181D+00  0.172293D+01  0.160463D+01  0.130931D+01 -0.183483D+01
               276           277           278           279           280 
      1  -0.175831D+01  0.905500D-01  0.698782D+00 -0.121500D+02  0.885645D+00
      2   0.290304D+01 -0.240305D+01  0.527724D+01  0.244635D+02 -0.372202D+01
      3  -0.237061D+01  0.185519D+01 -0.542087D+01 -0.480272D+01  0.169240D+02
               281           282           283           284           285 
      1   0.670510D-01 -0.226126D+01  0.340672D+00  0.782745D+00 -0.511521D+00
      2   0.232492D+00  0.740534D+01 -0.622341D+00 -0.143467D+01  0.168312D+00
      3  -0.630341D+01 -0.126414D+01 -0.393285D+01  0.772240D+00  0.126832D+01
               286           287           288           289           290 
      1  -0.229666D+01  0.302929D+00 -0.360856D+00  0.152570D+01 -0.613015D+00
      2   0.422340D+01  0.959305D+00  0.551846D+00 -0.249468D+01  0.915367D+00
      3  -0.122060D+01  0.216460D+01  0.839432D+00 -0.481902D+01  0.844931D+01
               291           292           293           294           295 
      1   0.196728D+01 -0.244180D+00  0.425355D+01 -0.521126D+01  0.917185D+00
      2  -0.173908D+01  0.634078D-01 -0.643604D+01  0.485386D+01 -0.220672D+01
      3  -0.226024D+01  0.502388D+01 -0.278362D+02  0.701694D+01 -0.220685D+01
               296           297 
      1  -0.236703D+01  0.252441D+01
      2   0.568551D+01 -0.294808D+01
      3   0.105505D+02 -0.629590D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.743698D+01  0.373444D+01 -0.273637D+02  0.721422D+01 -0.124871D+02
      2   0.469376D+01 -0.406304D+01  0.827790D+01 -0.723459D+01  0.135010D+02
      3   0.274321D+01  0.328601D+00  0.190858D+02  0.203735D-01 -0.101389D+01
      4   0.639327D+01  0.333246D+01  0.334093D+01  0.106512D+02 -0.293432D+01
      5  -0.142202D+02  0.328830D+01 -0.606316D+01  0.430248D+01  0.607944D+01
      6   0.349745D+01  0.488400D+01 -0.308907D+01  0.455625D+01 -0.953394D+01
                 6             7             8             9            10 
      1   0.968427D+01  0.359575D+02  0.339042D+01  0.849278D+01  0.456675D+02
      2  -0.112129D+02 -0.264055D+01 -0.669009D+01  0.311281D+01 -0.187728D+02
      3   0.152866D+01 -0.333169D+02  0.329967D+01 -0.116056D+02 -0.268947D+02
      4   0.582770D+01 -0.342830D+01  0.533278D+01  0.311486D+01 -0.121248D+02
      5   0.301845D+01  0.213510D+01  0.195509D+01 -0.990013D+01 -0.978464D+01
      6   0.133524D+02  0.472535D+01  0.520898D+01  0.327333D+01  0.616377D+01
                11            12            13            14            15 
      1   0.727908D+01 -0.498006D+01  0.791479D+01  0.875920D+00  0.900714D+00
      2  -0.647805D+01  0.983967D+00 -0.117355D+02  0.913667D+01  0.131990D+01
      3  -0.801028D+00  0.399609D+01  0.382072D+01 -0.100126D+02 -0.222062D+01
      4   0.353729D+00  0.155120D+00  0.216979D+02 -0.441036D+01 -0.136641D+01
      5  -0.511144D+00  0.933035D+01  0.447258D+01 -0.409231D+00 -0.313158D+01
      6   0.151882D+01 -0.773651D+01  0.966621D+00  0.214648D+01  0.605444D+01
                16            17            18            19            20 
      1  -0.991157D+01 -0.930869D+00 -0.212207D+02  0.756506D+01 -0.713394D+01
      2  -0.104547D+01  0.371130D+01 -0.937636D+00  0.479670D-01  0.593310D+01
      3   0.109570D+02 -0.278043D+01  0.221583D+02 -0.761303D+01  0.120085D+01
      4   0.200097D+01 -0.200574D+01 -0.406892D+01 -0.485202D+01 -0.470685D+00
      5  -0.175386D+02 -0.348677D+01  0.107204D+01  0.135106D+02 -0.447338D+00
      6  -0.802607D+00 -0.412354D+01 -0.215966D+01 -0.217038D+01 -0.586161D+01
                21            22            23            24            25 
      1   0.277691D+02 -0.139674D+00 -0.114063D+02 -0.146595D+01 -0.201563D+02
      2  -0.115241D+02  0.210793D+01  0.875709D+01 -0.644205D+01 -0.323553D+01
      3  -0.162450D+02 -0.196826D+01  0.264923D+01  0.790800D+01  0.233918D+02
      4   0.918836D+00  0.125390D+02  0.348377D+01 -0.525383D+01 -0.536628D+01
      5  -0.114472D+02 -0.414139D+01 -0.441902D+01  0.192009D+01  0.692039D+01
      6   0.806432D+01 -0.446845D+01 -0.569909D+01  0.150254D+02 -0.248142D+01
                26            27            28            29            30 
      1   0.701742D+00  0.107633D+02  0.147108D+02 -0.598713D-01  0.209957D+01
      2  -0.363938D+01  0.562823D+01 -0.138530D+01  0.412030D+01  0.174519D+01
      3   0.293763D+01 -0.163915D+02 -0.133255D+02 -0.406043D+01 -0.384476D+01
      4  -0.654757D+01 -0.467010D+00  0.235777D+02  0.238616D+01  0.379165D+00
      5  -0.413611D+00  0.975618D+01 -0.215812D+00  0.331669D+00  0.792479D+01
      6   0.765973D+01  0.817205D+00 -0.589949D+00 -0.273926D+01  0.360850D+01
                31            32            33            34            35 
      1  -0.218709D+01  0.115033D+01  0.148533D+01 -0.422689D+01  0.351254D+01
      2   0.438513D+01  0.689370D+01 -0.847859D+00 -0.589554D+00  0.907249D+00
      3  -0.219804D+01 -0.804403D+01 -0.637469D+00  0.481645D+01 -0.441979D+01
      4   0.188874D+02  0.183372D+01  0.216122D+01  0.600127D+00  0.568508D+01
      5   0.677677D+00  0.164073D+01 -0.977336D-01 -0.216846D+02 -0.521458D+00
      6  -0.313997D+01  0.684093D+00  0.292391D+01  0.146680D+01 -0.477236D+01
                36            37            38            39            40 
      1  -0.253476D+02  0.881617D+00 -0.151178D+01 -0.276440D+02 -0.245432D+01
      2   0.263007D+00 -0.341081D+00  0.305093D+01  0.108065D+02  0.154878D+01
      3   0.250846D+02 -0.540537D+00 -0.153916D+01  0.168375D+02  0.905542D+00
      4  -0.291128D+01 -0.124894D+01  0.139880D+01  0.432509D+00  0.562563D+01
      5  -0.859927D+00 -0.216920D+02  0.143549D+01 -0.135853D+01  0.314537D+01
      6  -0.390841D+01  0.491745D+01  0.577198D+01  0.448590D+01  0.653667D+01
                41            42            43            44            45 
      1  -0.885830D+01 -0.116827D+01  0.239593D+02 -0.390155D+01  0.124224D+02
      2   0.957513D+01  0.235882D+01  0.307369D+01  0.141927D+01  0.875433D+00
      3  -0.716830D+00 -0.119054D+01 -0.270330D+02  0.248228D+01 -0.132978D+02
      4   0.240098D+01  0.629375D+01  0.645952D+01  0.565768D+01  0.244510D+01
      5   0.356187D+01  0.218346D+01  0.131884D+02  0.976554D+00 -0.952001D+01
      6   0.346397D+01  0.987514D+01  0.284721D+00  0.498941D+01  0.524991D+01
                46            47            48            49            50 
      1  -0.173469D+01 -0.236917D+01  0.250466D+02  0.484751D+01 -0.108694D+02
      2   0.582689D+01 -0.351064D-01 -0.903367D+01 -0.235343D+01  0.109716D+02
      3  -0.409220D+01  0.240427D+01 -0.160129D+02 -0.249408D+01 -0.102130D+00
      4   0.303540D+01  0.777866D+00 -0.168829D+01  0.378008D+01  0.253442D-01
      5   0.238523D+02 -0.148107D+01 -0.657010D+01 -0.573564D+01 -0.301701D+01
      6  -0.474962D+01 -0.339477D+01 -0.607408D-01 -0.328114D+01  0.707459D+01
                51            52            53            54            55 
      1  -0.117746D+02 -0.267739D+02 -0.508164D+01  0.122652D+02 -0.328493D+02
      2   0.837176D+01  0.253961D+01  0.511970D+01  0.654911D+01  0.155902D+02
      3   0.340289D+01  0.242342D+02 -0.380567D-01 -0.188143D+02  0.172590D+02
      4  -0.457707D+01  0.416379D+01 -0.410967D+01 -0.203736D-01 -0.113311D+01
      5   0.338876D+00  0.109629D+02  0.251692D-01  0.921307D+01  0.176070D+01
      6   0.129154D+02 -0.193192D+01  0.656432D+01  0.241220D+01 -0.501455D+01
                56            57            58            59            60 
      1  -0.996347D+01 -0.218546D+01 -0.468103D+02 -0.278419D+02  0.949199D+01
      2   0.620387D+01  0.123203D+01  0.261235D+02  0.117168D+02 -0.655601D+01
      3   0.375960D+01  0.953427D+00  0.206868D+02  0.161251D+02 -0.293598D+01
      4  -0.213028D+02  0.199102D+01 -0.487934D+02  0.579162D+01  0.118956D+02
      5   0.279934D+01 -0.157517D+02  0.702488D+01  0.125619D+02  0.228084D+02
      6  -0.106455D+01  0.525499D+01  0.291313D+01 -0.725719D+01 -0.105793D+02
                61            62            63            64            65 
      1   0.744580D+01  0.878113D+01 -0.127197D+02 -0.437068D+02  0.112961D+02
      2  -0.464653D+00 -0.469116D+01  0.306334D+01  0.288922D+02 -0.518967D+01
      3  -0.698115D+01 -0.408997D+01  0.965632D+01  0.148146D+02 -0.610646D+01
      4   0.294394D+01  0.148374D+02  0.342236D+02  0.139789D+02  0.271192D+02
      5  -0.317617D+02  0.303839D+02 -0.894615D+01  0.282347D+02 -0.683177D+01
      6   0.141307D+02 -0.122025D+02 -0.856539D+00  0.589205D+01 -0.247681D+00
                66            67            68            69            70 
      1   0.304504D+02  0.504383D+02  0.447852D+02 -0.126807D+02  0.291784D+02
      2  -0.149667D+02 -0.208246D+02 -0.191068D+02  0.330335D+01 -0.143498D+02
      3  -0.154837D+02 -0.296138D+02 -0.256784D+02  0.937737D+01 -0.148286D+02
      4  -0.481135D+01  0.475946D+02  0.808866D+01 -0.151368D+02 -0.840678D+01
      5   0.163223D+02 -0.181643D+02 -0.173402D+02 -0.296668D+02  0.306988D+02
      6   0.658894D+01 -0.366796D+01 -0.212274D+01 -0.690590D+01  0.162954D+01
                71            72            73            74            75 
      1  -0.782133D+01  0.399484D+02  0.498909D+02 -0.137591D+02 -0.308312D+02
      2  -0.365430D+01 -0.199684D+02 -0.296193D+02  0.403331D+01  0.142985D+02
      3   0.114756D+02 -0.199800D+02 -0.202717D+02  0.972576D+01  0.165327D+02
      4  -0.177590D+02 -0.279906D+02 -0.191176D+02 -0.385446D+02  0.134292D+02
      5  -0.302860D+02  0.209967D+02 -0.274308D+02  0.149121D+02 -0.260199D+02
      6  -0.554786D+01  0.799299D+01  0.246635D+01  0.689865D+01 -0.972013D+00
                76            77            78            79            80 
      1  -0.271763D+02 -0.481741D+02  0.215665D+02 -0.333925D+02  0.183985D+02
      2   0.696270D+01  0.245101D+02 -0.206335D+01  0.145779D+02 -0.105197D+01
      3   0.202136D+02  0.236640D+02 -0.195031D+02  0.188146D+02 -0.173465D+02
      4  -0.624401D+02 -0.255598D+02  0.342513D+02  0.164142D+02  0.294225D+02
      5   0.216593D+02  0.373743D+02  0.403604D+02 -0.439891D+02  0.407783D+02
      6   0.117350D+02  0.509480D+01 -0.698835D+01  0.348736D+00 -0.618284D+01
                81            82            83            84            85 
      1  -0.405017D+02  0.526026D+02 -0.981665D+01 -0.137278D+02 -0.136145D+02
      2   0.251309D+02 -0.348782D+02 -0.821987D+01  0.165205D+02 -0.114867D+02
      3   0.153707D+02 -0.177244D+02  0.180365D+02 -0.279272D+01  0.251011D+02
      4   0.393660D+02 -0.597722D+01 -0.303179D+02  0.197128D+01 -0.378937D+02
      5  -0.164007D+00 -0.105561D+02  0.457405D+01 -0.175940D+02  0.869419D+01
      6  -0.649160D+01 -0.594361D+01 -0.115590D+00 -0.572902D+01  0.123957D+01
                86            87            88            89            90 
      1  -0.237414D+02 -0.104813D+01 -0.141195D+02 -0.206165D+01 -0.242182D+02
      2  -0.875932D+01 -0.751446D+00  0.183780D+02  0.544977D+01  0.289581D+02
      3   0.325007D+02  0.179958D+01 -0.425848D+01 -0.338812D+01 -0.473987D+01
      4  -0.394970D+02  0.156489D+02  0.408361D+01  0.266707D+02  0.148952D+02
      5   0.123794D+02  0.260514D+02 -0.252681D+02  0.221628D+02 -0.292212D+02
      6   0.645112D+01  0.105840D+02 -0.386925D+01  0.918633D+01 -0.313821D+01
                91            92            93            94            95 
      1   0.141283D+02 -0.471305D+01  0.176783D+00 -0.159332D+02 -0.197737D+02
      2  -0.114816D+02 -0.341785D+01 -0.285067D+01  0.295654D+01  0.414908D+01
      3  -0.264672D+01  0.813090D+01  0.267389D+01  0.129766D+02  0.156247D+02
      4  -0.207130D+02 -0.201483D+02 -0.543693D+01 -0.469754D+02  0.548348D+01
      5  -0.145369D+01 -0.449794D+01 -0.760208D+01 -0.481398D+01 -0.115763D+02
      6  -0.244541D+01 -0.941816D+00 -0.291257D+01 -0.370515D+01 -0.319659D+01
                96            97            98            99           100 
      1  -0.171876D+01 -0.119238D+02 -0.335262D+01 -0.241693D+01 -0.180699D+01
      2   0.102792D+01 -0.453807D+01 -0.637972D+00  0.120852D+02  0.297450D+01
      3   0.690839D+00  0.164619D+02  0.399059D+01 -0.966826D+01 -0.116752D+01
      4  -0.119092D+02 -0.104812D+02 -0.237341D+02  0.520784D+00  0.559233D+01
      5   0.152828D+00 -0.121790D+02  0.199969D+01  0.377379D+02 -0.173289D+02
      6   0.803353D+00 -0.239680D+01  0.201295D+01  0.337673D+01  0.488501D+01
               101           102           103           104           105 
      1   0.178890D+01 -0.847185D+01  0.913808D+01  0.800640D+01  0.439952D+01
      2  -0.668880D+00  0.883929D+01 -0.737035D+01 -0.462255D+01 -0.778933D+01
      3  -0.112002D+01 -0.367440D+00 -0.176774D+01 -0.338385D+01  0.338980D+01
      4   0.400328D+01  0.459751D+01  0.427973D+01 -0.150000D+02  0.116073D+02
      5   0.401046D+01 -0.588095D+01  0.136368D+01  0.110785D+02  0.102060D+02
      6  -0.346256D+01  0.585138D+01  0.386353D+01 -0.101731D+02 -0.800294D+01
               106           107           108           109           110 
      1  -0.245112D+02  0.503029D+01 -0.858981D+01  0.382350D+02 -0.535806D+01
      2   0.179573D+02 -0.534378D+01  0.115168D+02 -0.252189D+02  0.165504D+01
      3   0.655389D+01  0.313489D+00 -0.292700D+01 -0.130161D+02  0.370302D+01
      4   0.111997D+02  0.146693D+01  0.118512D+02 -0.132734D+02  0.140339D+02
      5  -0.238437D+02  0.975663D+01 -0.393294D+02  0.360239D+02 -0.407554D+01
      6   0.979753D+01 -0.126303D+02  0.139447D+02 -0.970074D+01  0.262826D+01
               111           112           113           114           115 
      1   0.264088D+02 -0.287402D+01  0.189274D+01  0.125339D+01  0.387655D+02
      2  -0.190683D+02 -0.115634D+01  0.191029D+01 -0.311795D+00 -0.256275D+02
      3  -0.734048D+01  0.403036D+01 -0.380303D+01 -0.941592D+00 -0.131381D+02
      4  -0.791378D+01  0.157415D+02 -0.548245D+01  0.134480D+02 -0.172859D+02
      5   0.267230D+02 -0.664524D+01  0.133290D+02 -0.979894D+01  0.440014D+02
      6  -0.620783D+01  0.500224D+01 -0.681352D+01  0.132440D+02 -0.111697D+02
               116           117           118           119           120 
      1  -0.464953D+00  0.983444D+01  0.830724D+00 -0.120375D+02 -0.978643D+01
      2  -0.246822D+01 -0.306258D+02 -0.963988D+00  0.143991D+02  0.418615D+01
      3   0.293317D+01  0.207913D+02  0.133264D+00 -0.236162D+01  0.560028D+01
      4   0.244923D+02 -0.123030D+02 -0.199007D+01 -0.428050D+01  0.722607D+01
      5  -0.108180D+02  0.734970D+02 -0.911953D+01  0.255151D+01  0.430482D+01
      6   0.130820D+02 -0.279086D+02  0.513233D+01 -0.358513D+00 -0.364376D+00
               121           122           123           124           125 
      1  -0.562077D+01 -0.973087D+01 -0.492428D+01 -0.107518D+02 -0.718340D+01
      2   0.111821D+02 -0.931047D+00  0.108797D+02 -0.281916D+00  0.204235D+02
      3  -0.556131D+01  0.106619D+02 -0.595545D+01  0.110337D+02 -0.132401D+02
      4  -0.262091D+01  0.226113D+02 -0.192246D+02  0.186170D+02 -0.369057D+02
      5   0.729727D+01 -0.191600D+02 -0.516416D+01  0.100212D+02 -0.135007D+02
      6  -0.471486D+01  0.185437D+02  0.101945D+02 -0.397351D+01  0.156416D+02
               126           127           128           129           130 
      1  -0.502557D+01  0.792128D+00  0.164765D+01 -0.373908D+01 -0.939376D+00
      2  -0.927120D+00 -0.664951D+01 -0.825118D+00 -0.592548D+01  0.154690D+01
      3   0.595269D+01  0.585738D+01 -0.822527D+00  0.966457D+01 -0.607521D+00
      4  -0.115596D+02 -0.586046D+01  0.408651D+01 -0.519761D+01  0.136413D+01
      5  -0.226870D+02  0.169565D+02 -0.284578D+01  0.171930D+02 -0.305713D+01
      6   0.170909D+02 -0.634921D+01  0.398287D+01 -0.690451D+01  0.204718D+01
               131           132           133           134           135 
      1  -0.182696D+01  0.194510D+01 -0.539961D+01  0.444918D+01 -0.207408D+02
      2  -0.374382D+00  0.102380D+01 -0.728374D+01 -0.658469D+00 -0.119867D+02
      3   0.220134D+01 -0.296889D+01  0.126834D+02 -0.379071D+01  0.327275D+02
      4  -0.190182D+01  0.252076D+01 -0.442255D+01  0.432961D+01 -0.668254D+01
      5   0.257877D+01 -0.399111D+01  0.179569D+02 -0.356503D+01  0.260796D+02
      6  -0.162450D+01  0.383001D+01 -0.708293D+01  0.768160D+01 -0.145567D+02
               136           137           138           139           140 
      1  -0.259471D+01 -0.246359D+00  0.563992D+01 -0.477857D+00 -0.179814D+01
      2  -0.566382D+01  0.159475D+00  0.586726D+01  0.386429D-01 -0.631842D+00
      3   0.825853D+01  0.868842D-01 -0.115072D+02  0.439215D+00  0.242998D+01
      4   0.274728D+01  0.221101D+01 -0.264724D+01  0.455975D+00 -0.513197D-01
      5  -0.115883D+02 -0.711924D+00  0.144673D+02  0.187336D-01 -0.160145D+01
      6  -0.293391D+01 -0.230571D+01  0.299211D+01 -0.653732D+00 -0.520587D+00
               141           142           143           144           145 
      1   0.933165D+00  0.829875D+01  0.274234D+01 -0.320323D+02  0.335140D+01
      2   0.159173D+00  0.642783D+01 -0.720694D+00 -0.163959D+02 -0.527543D+01
      3  -0.109234D+01 -0.147266D+02 -0.202165D+01  0.484282D+02  0.192403D+01
      4  -0.111592D+01 -0.289405D+01 -0.284818D+01  0.405397D+01  0.231331D+00
      5  -0.134300D+00  0.139143D+02  0.145841D+01 -0.229916D+02  0.113991D+02
      6   0.292604D+01  0.449204D+01  0.702116D+01 -0.121360D+02  0.153646D+01
               146           147           148           149           150 
      1  -0.717094D+00 -0.155908D+01 -0.888278D+00 -0.545543D+00  0.149400D+01
      2   0.695258D+00 -0.405762D+01  0.627148D+00 -0.730685D+00  0.687438D+00
      3   0.218362D-01  0.561670D+01  0.261130D+00  0.127623D+01 -0.218144D+01
      4   0.306912D+01  0.721867D+00  0.153421D+01 -0.122708D+01  0.804211D+00
      5  -0.108021D+01  0.103633D+02 -0.150895D+01  0.227163D+01 -0.212405D+01
      6   0.161609D+01  0.156483D+01  0.321154D+00 -0.942135D+00  0.106343D+01
               151           152           153           154           155 
      1  -0.394774D+01  0.100693D+01 -0.151820D+02 -0.198013D+00  0.118051D+01
      2  -0.554232D+01  0.964402D+00 -0.917174D+01 -0.507365D+01 -0.970393D+00
      3   0.949006D+01 -0.197133D+01  0.243538D+02  0.527166D+01 -0.210117D+00
      4   0.159078D+01  0.264244D+01  0.110657D+01 -0.170617D+01  0.202780D+01
      5   0.130829D+02 -0.110023D+01  0.176904D+02 -0.984040D+01  0.436253D+00
      6   0.217933D+01  0.421551D+01  0.370284D+01  0.335967D+01 -0.190684D+01
               156           157           158           159           160 
      1   0.244461D+01 -0.102777D+01 -0.187141D+01  0.106158D+01  0.383164D+01
      2   0.494425D+01  0.451388D+00 -0.395689D+00  0.758451D-01  0.675144D+01
      3  -0.738885D+01  0.576387D+00  0.226709D+01 -0.113743D+01 -0.105831D+02
      4   0.221944D+01  0.118092D+01 -0.588247D+00 -0.136469D+01  0.163970D+01
      5   0.120045D+02  0.469748D+00 -0.212061D+01 -0.749872D+00  0.132772D+02
      6  -0.404036D+01 -0.134170D+01  0.182132D+00  0.226776D+01 -0.384258D+01
               161           162           163           164           165 
      1  -0.159661D+01 -0.244527D+02  0.119020D+02 -0.537678D+01 -0.685304D+01
      2   0.101056D+01 -0.132454D+02 -0.406729D+01  0.763099D+00  0.282148D+01
      3   0.586047D+00  0.376980D+02 -0.783467D+01  0.461368D+01  0.403156D+01
      4  -0.263821D+01 -0.287083D+01 -0.125482D+02  0.155750D+02  0.667927D+01
      5  -0.346248D+00 -0.210318D+02 -0.116989D+02  0.516806D+01  0.907517D+01
      6   0.576959D+01  0.105202D+02  0.546788D+01 -0.241213D+01 -0.285384D+01
               166           167           168           169           170 
      1  -0.301553D+01 -0.342260D+01 -0.377369D+01 -0.200664D+02 -0.580133D+01
      2  -0.286532D+01  0.131044D+02  0.606631D+01  0.867023D+01  0.671029D+01
      3   0.588085D+01 -0.968182D+01 -0.229262D+01  0.113962D+02 -0.908957D+00
      4   0.235101D+02 -0.320583D+02 -0.178383D+02  0.145017D+02 -0.243087D+02
      5   0.797850D+01 -0.162834D+02 -0.130661D+02  0.198355D+02 -0.184285D+02
      6  -0.592921D+01  0.130781D+02  0.107977D+02 -0.941462D+01  0.128854D+02
               171           172           173           174           175 
      1   0.110518D+00  0.167926D+02 -0.439928D+01  0.965096D+01  0.112956D+00
      2  -0.900093D+00 -0.837748D+01  0.144172D+00 -0.477626D+01 -0.249869D+01
      3   0.789575D+00 -0.841511D+01  0.425511D+01 -0.487469D+01  0.238573D+01
      4  -0.213745D+02 -0.122146D+02  0.143031D+02 -0.864025D+01  0.144906D+02
      5  -0.210265D+02  0.162229D+02 -0.681464D+01  0.131793D+02 -0.590302D+01
      6   0.124893D+02 -0.540537D+01  0.261111D+01 -0.352765D+01  0.395181D+01
               176           177           178           179           180 
      1   0.162712D+01  0.733492D+00  0.199820D+02  0.517868D+00  0.191181D+01
      2   0.334644D+01 -0.230247D+01 -0.993414D+01 -0.268412D+01 -0.329112D+01
      3  -0.497355D+01  0.156897D+01 -0.100478D+02  0.216625D+01  0.137930D+01
      4  -0.161573D+02  0.950872D+01 -0.135903D+02  0.163581D+02 -0.185406D+02
      5   0.898042D+01 -0.930324D+01  0.185362D+02 -0.162441D+02  0.275849D+02
      6  -0.584244D+01  0.792400D+01 -0.694205D+01  0.936212D+01 -0.106708D+02
               181           182           183           184           185 
      1  -0.107899D+02  0.389019D+01 -0.163280D+02  0.271754D+01 -0.158145D+02
      2   0.289539D+01 -0.200482D+01  0.574614D+01 -0.200888D+01  0.902872D+01
      3   0.789449D+01 -0.188537D+01  0.105819D+02 -0.708663D+00  0.678575D+01
      4  -0.152138D+01 -0.480573D+01  0.819890D+00 -0.288719D+01  0.745983D+01
      5  -0.899605D+01  0.128662D+01 -0.492439D+01  0.107217D+01 -0.594053D+01
      6  -0.496692D+01  0.181014D+01 -0.474976D+01  0.205783D+01 -0.609200D+01
               186           187           188           189           190 
      1   0.894310D+01 -0.259987D+02  0.849434D+01 -0.264982D+02  0.115720D+02
      2  -0.416491D+01  0.103492D+02 -0.181940D+01  0.608192D+00 -0.829180D+01
      3  -0.477819D+01  0.156494D+02 -0.667494D+01  0.258900D+02 -0.328016D+01
      4  -0.567368D+01  0.149776D+00 -0.728451D+01  0.104243D+02 -0.109329D+02
      5   0.134702D+02 -0.288774D+01  0.119850D+02 -0.332261D+02 -0.142957D+02
      6   0.103993D+02 -0.317082D+01  0.813373D+01 -0.142592D+02  0.298219D+01
               191           192           193           194           195 
      1  -0.109495D+02 -0.120398D+02 -0.232184D+02  0.129673D+02  0.636629D+01
      2   0.650677D+01  0.798548D+01  0.146119D+02 -0.795067D+01 -0.942917D+01
      3   0.444268D+01  0.405433D+01  0.860648D+01 -0.501663D+01  0.306288D+01
      4   0.114001D+02  0.627384D+01  0.233590D+02 -0.314934D+02 -0.274722D+02
      5   0.733248D+01  0.166723D+02  0.168300D+02 -0.284708D+02 -0.334985D+02
      6  -0.193670D+01 -0.136563D+01 -0.473205D+01  0.855176D+01  0.870499D+01
               196           197           198           199           200 
      1  -0.243685D+02  0.402235D+01  0.151862D+02  0.498347D+02 -0.114949D+02
      2   0.181896D+02 -0.778387D+01 -0.226344D+02 -0.245453D+02  0.560374D+01
      3   0.617892D+01  0.376152D+01  0.744823D+01 -0.252894D+02  0.589113D+01
      4   0.115653D+02 -0.277203D+02 -0.283228D+02 -0.103897D+02  0.146869D+02
      5   0.340636D+02 -0.296800D+02 -0.533114D+02  0.239080D+02 -0.771493D+01
      6  -0.293821D+01  0.868931D+01  0.809051D+01 -0.616904D+00 -0.659499D+00
               201           202           203           204           205 
      1   0.256987D+02 -0.212720D+02  0.180137D+02 -0.105116D+02  0.562669D+02
      2  -0.119669D+02  0.105229D+02 -0.752717D+01  0.359901D+01 -0.284972D+02
      3  -0.137317D+02  0.107491D+02 -0.104866D+02  0.691257D+01 -0.277697D+02
      4  -0.767283D+01  0.219201D+02 -0.129493D+02  0.796122D+01 -0.122772D+02
      5   0.222140D+02 -0.104329D+02  0.758609D+01 -0.172231D+02  0.340271D+02
      6   0.231260D+00 -0.256567D+00 -0.149883D+01  0.291863D+01 -0.625663D-01
               206           207           208           209           210 
      1  -0.125196D+02  0.296863D+02  0.514260D+02  0.299246D+02 -0.981018D+01
      2   0.499229D+01 -0.172376D+02 -0.225532D+02 -0.124312D+02  0.568254D+01
      3   0.752732D+01 -0.124488D+02 -0.288728D+02 -0.174935D+02  0.412763D+01
      4   0.145235D+02 -0.157076D+02  0.372026D+02  0.329519D+02 -0.104697D+02
      5  -0.161776D+02  0.434074D+02 -0.159059D+02 -0.118892D+02  0.145272D+02
      6   0.257413D+01  0.327229D+00 -0.660273D+01 -0.511445D+01  0.319306D+01
               211           212           213           214           215 
      1   0.577632D+02  0.328842D+02 -0.128751D+02 -0.113440D+02 -0.789879D+01
      2  -0.230946D+02 -0.620210D+01  0.625281D+01  0.722330D+01  0.356426D+01
      3  -0.346685D+02 -0.266821D+02  0.662231D+01  0.412075D+01  0.433453D+01
      4   0.554049D+02  0.650637D+02 -0.194782D+02 -0.130761D+02 -0.163401D+02
      5  -0.228150D+02 -0.207002D+02  0.157966D+02  0.230310D+02  0.101315D+02
      6  -0.100287D+02 -0.123834D+02  0.838635D+01  0.531671D+01  0.763256D+01
               216           217           218           219           220 
      1   0.140242D+02  0.113620D+02 -0.136034D+01  0.128383D+02 -0.694420D+01
      2  -0.860748D+01 -0.101166D+02  0.385702D+01 -0.134059D+02  0.721517D+01
      3  -0.541670D+01 -0.124534D+01 -0.249668D+01  0.567613D+00 -0.270971D+00
      4   0.961126D+01  0.322100D+01  0.887371D+01  0.314842D+01  0.579125D+01
      5  -0.143851D+02  0.197647D+02 -0.121237D+00  0.237503D+02 -0.674438D+01
      6  -0.440147D+01  0.386760D+01  0.210171D+01  0.512649D+01  0.730921D+00
               221           222           223           224           225 
      1   0.388570D+01 -0.286141D+01  0.154253D+02 -0.222324D+01  0.377114D+01
      2  -0.260321D+01  0.713200D+01 -0.160550D+02  0.502251D+01 -0.249978D+02
      3  -0.128250D+01 -0.427059D+01  0.629728D+00 -0.279927D+01  0.212266D+02
      4  -0.103798D+01  0.448920D+01  0.468603D+01  0.754476D+01  0.217381D+01
      5   0.638501D+01 -0.152374D+02  0.249090D+02 -0.166213D+01  0.544946D+02
      6  -0.153204D+01  0.503979D+00  0.572394D+01  0.438347D+01  0.141699D+02
               226           227           228           229           230 
      1  -0.568188D+02  0.132423D+02  0.120473D+02  0.687683D+01 -0.116030D+02
      2   0.315938D+02 -0.117934D+02 -0.678782D+01 -0.568605D+01  0.110903D+02
      3   0.252250D+02 -0.144885D+01 -0.525946D+01 -0.119078D+01  0.512659D+00
      4  -0.153218D+02 -0.340475D+01 -0.122482D+01  0.835521D+00  0.330550D+01
      5  -0.134926D+01 -0.364994D+01 -0.300815D+01 -0.166059D+01 -0.817027D+00
      6   0.346298D+01 -0.500542D+01 -0.493958D+01 -0.398208D+01  0.178254D+01
               231           232           233           234           235 
      1  -0.420415D+01  0.967009D+01 -0.307945D+01 -0.665460D+01  0.130503D+02
      2   0.267596D+01 -0.524541D+01  0.120094D+01  0.516715D+00  0.333958D+01
      3   0.152819D+01 -0.442468D+01  0.187852D+01  0.613788D+01 -0.163899D+02
      4  -0.132433D+01  0.744961D+00 -0.289742D+01 -0.154771D+01  0.282851D+02
      5  -0.236134D+01  0.154503D+01 -0.612165D+00  0.499283D+01  0.210204D+01
      6   0.158658D+01 -0.385276D+01  0.257317D+01  0.321257D+01  0.171252D+01
               236           237           238           239           240 
      1   0.130919D+02 -0.560893D+00  0.131120D+02 -0.232590D+01 -0.120235D+01
      2   0.680497D+01 -0.142381D+01  0.975145D+01  0.404190D+02 -0.112770D+01
      3  -0.198969D+02  0.198470D+01 -0.228634D+02 -0.380931D+02  0.233005D+01
      4   0.343113D+02 -0.618549D-01  0.398960D+02  0.730322D+02 -0.157606D+01
      5   0.222374D+01  0.771286D+01  0.164692D+01  0.169103D+01  0.657135D+01
      6   0.224844D+01  0.381488D+01  0.180432D+01  0.496215D+01  0.684256D+01
               241           242           243           244           245 
      1  -0.458548D+01 -0.553500D+00  0.309794D+01  0.200340D+01  0.106584D+01
      2  -0.152184D+01 -0.646791D+01  0.289964D+00 -0.620200D+01  0.157580D+00
      3   0.610733D+01  0.702141D+01 -0.338791D+01  0.419859D+01 -0.122342D+01
      4  -0.757724D+01 -0.143804D+02  0.767429D+01  0.221017D+01  0.535638D+01
      5   0.801083D+01  0.600080D+01 -0.107263D+01 -0.148329D+02  0.856162D+00
      6   0.414512D+01  0.660360D+01 -0.211545D+01 -0.112807D+01 -0.228709D+00
               246           247           248           249           250 
      1  -0.840954D+01  0.127139D+01  0.142972D+01  0.203357D+00 -0.102478D+02
      2   0.701962D+01  0.360901D+00 -0.165587D+01 -0.130894D+01  0.106515D+02
      3   0.138992D+01 -0.163230D+01  0.226150D+00  0.110558D+01 -0.403700D+00
      4  -0.356493D+00  0.882657D+01 -0.119648D+01 -0.491696D+01 -0.163011D+01
      5   0.139812D+02  0.660676D+00 -0.549300D+01 -0.985057D-01  0.197886D+02
      6   0.995575D+00 -0.134527D+01 -0.575289D+00  0.525230D+01  0.945326D+00
               251           252           253           254           255 
      1   0.443813D+00 -0.402585D+01 -0.912847D+02 -0.996219D+01  0.913768D+01
      2  -0.856093D+00 -0.176559D+02  0.500729D+02  0.157298D+02 -0.644374D+01
      3   0.412280D+00  0.216817D+02  0.412118D+02 -0.576759D+01 -0.269393D+01
      4  -0.807949D+01  0.869667D+00 -0.166888D+02  0.276345D+02  0.354815D+01
      5  -0.556959D+00 -0.465437D+02  0.126676D+02  0.567498D+00  0.945491D+01
      6   0.391463D+01 -0.440223D+01  0.675099D+01  0.121449D+00  0.521808D+01
               256           257           258           259           260 
      1   0.171282D+02  0.354085D+02 -0.568906D+01  0.197672D+02 -0.525632D+01
      2   0.373587D+01 -0.268578D+02  0.119527D+02 -0.580589D+01  0.159355D+02
      3  -0.208640D+02 -0.855066D+01 -0.626361D+01 -0.139613D+02 -0.106792D+02
      4   0.414264D+02  0.814041D+00  0.186165D+02  0.129773D+02  0.259945D+02
      5   0.467053D+01  0.205243D+02 -0.491794D+01  0.118286D+02 -0.810674D+01
      6   0.382865D+01  0.144785D+02 -0.213577D+01  0.514860D+01 -0.402897D+01
               261           262           263           264           265 
      1   0.181908D+02  0.465566D+01 -0.706517D+01  0.587912D+00 -0.418934D+01
      2  -0.668905D+01  0.380737D+01 -0.369568D+01  0.276933D+00 -0.805478D+01
      3  -0.115017D+02 -0.846303D+01  0.107608D+02 -0.864846D+00  0.122441D+02
      4  -0.295646D+01 -0.139424D+02  0.202281D+02 -0.139594D+01  0.234972D+02
      5  -0.302632D+02 -0.436075D+00 -0.225319D+00  0.238268D+01 -0.415736D+00
      6  -0.144907D+02 -0.404139D+00  0.283574D+00 -0.765428D+00  0.647027D+00
               266           267           268           269           270 
      1  -0.104034D+02 -0.870622D-01  0.184393D+01  0.269740D+01 -0.128619D+01
      2   0.388495D+02 -0.232411D+01  0.371869D+01 -0.145547D+02  0.425262D+01
      3  -0.284461D+02  0.241117D+01 -0.556262D+01  0.118573D+02 -0.296643D+01
      4  -0.590964D+02  0.284147D+01 -0.103758D+02  0.247847D+02 -0.727709D+01
      5   0.100529D+01 -0.726993D+01  0.329862D+01 -0.646436D+01  0.267604D+01
      6  -0.123625D+01  0.520103D+01 -0.265909D+01  0.741664D+01 -0.283717D+01
               271           272           273           274           275 
      1   0.629236D+01  0.304372D+01  0.601292D+01 -0.196127D+01 -0.773713D+01
      2  -0.562848D+01 -0.352423D+01 -0.243368D+01 -0.707754D-01  0.562133D+01
      3  -0.663878D+00  0.480510D+00 -0.357924D+01  0.203204D+01  0.211580D+01
      4   0.113627D+01 -0.348988D+01  0.112361D+01 -0.186210D+01  0.135554D+01
      5   0.396991D+01 -0.445354D+00  0.330956D-01  0.719887D+00  0.440746D+01
      6   0.203410D+01 -0.107252D+01 -0.152211D+01  0.107841D+00  0.261640D+01
               276           277           278           279           280 
      1  -0.251188D+01  0.119256D+02 -0.305982D+01 -0.130949D+02  0.134613D+03
      2   0.169105D+01 -0.560307D+01  0.347193D+01 -0.308544D+01 -0.639764D+02
      3   0.820825D+00 -0.632256D+01 -0.412112D+00  0.161803D+02 -0.706366D+02
      4   0.427417D+01  0.892457D+01  0.123329D+02  0.860207D+01  0.498140D+02
      5   0.548761D+01  0.750926D+01  0.101104D+02  0.423028D+02 -0.552949D+01
      6   0.673271D+01  0.191836D+01  0.942577D+01  0.233449D+02 -0.243989D+01
               281           282           283           284           285 
      1   0.124817D+02 -0.566640D+01 -0.684062D+01  0.775427D+01  0.958779D+00
      2  -0.146723D+01  0.314000D+01  0.657277D+01 -0.144480D+01 -0.178599D+01
      3  -0.110145D+02  0.252640D+01  0.267850D+00 -0.630947D+01  0.827210D+00
      4   0.204603D+02 -0.110208D+01  0.121349D+02  0.420149D+01 -0.244633D+01
      5  -0.125244D+00  0.129060D+02 -0.597417D-01 -0.276756D+01 -0.486809D-01
      6   0.288241D+00  0.378957D+01 -0.971401D-01 -0.128900D+01  0.842861D+00
               286           287           288           289           290 
      1  -0.129168D+02 -0.566385D+00  0.976580D+01  0.686904D+00  0.141788D+02
      2   0.634361D+01 -0.171026D+01 -0.607233D+01  0.253451D+01 -0.148089D+02
      3   0.657322D+01  0.227665D+01 -0.369347D+01 -0.322141D+01  0.630038D+00
      4  -0.607106D+01 -0.517179D+01  0.467724D+01  0.379516D+01 -0.763487D+01
      5   0.159260D+02  0.271285D+01 -0.646762D+00 -0.349834D+01  0.160200D+01
      6   0.423201D+01  0.208910D+01  0.526175D+00 -0.266741D+01  0.206299D+01
               291           292           293           294           295 
      1  -0.525298D+01  0.927381D+01 -0.312368D+02  0.713833D+01 -0.807527D+01
      2   0.389102D+01 -0.470938D+01  0.487876D+02 -0.102832D+02  0.300961D+01
      3   0.136196D+01 -0.456443D+01 -0.175508D+02  0.314485D+01  0.506566D+01
      4  -0.449667D+00  0.726761D+01  0.453544D+02 -0.108754D+02 -0.638008D+01
      5  -0.281533D+01 -0.606535D+00 -0.133189D+02  0.951772D+01  0.903204D+00
      6  -0.303889D+01 -0.365722D+00 -0.108705D+02  0.894642D+01 -0.230115D+00
               296           297 
      1   0.922610D+01 -0.912136D+01
      2  -0.144092D+02  0.792141D+01
      3   0.518308D+01  0.119995D+01
      4  -0.193451D+02  0.899102D+01
      5   0.111973D+02 -0.577467D+01
      6   0.109527D+02 -0.630159D+01
 Leave Link  716 at Wed Sep  8 17:27:32 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220220D+03 -0.336168D+00  0.599954D+00
      2  -0.336168D+00  0.136181D+03 -0.927704D-01
      3   0.599954D+00 -0.927704D-01  0.155487D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.690580D+01 -0.197507D+01  0.238156D+02
      2  -0.435687D+02  0.435192D+01  0.458416D+02
      3  -0.987828D+02 -0.377389D+02 -0.156215D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.245552D+03  0.391131D+02 -0.753546D+02
      2  -0.131783D+03 -0.109776D+02  0.331171D+02
      3  -0.113768D+03 -0.281355D+02  0.422375D+02
      4  -0.441536D+02  0.707622D+02  0.101819D+02
      5  -0.464615D+02  0.680195D+01  0.984023D+02
      6   0.687214D+01  0.115603D+02 -0.526950D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991294D+01  0.625529D+00  0.426959D-01  0.158916D+01  0.214959D+01
      2   0.625529D+00  0.181769D+01 -0.118968D+00  0.214959D+01 -0.167836D+01
      3   0.426959D-01 -0.118968D+00  0.323850D+01  0.843096D+00  0.328071D+01
                 6             7             8             9            10 
      1   0.843096D+00  0.127281D+02  0.686100D+00 -0.139535D+01  0.290815D+02
      2   0.328071D+01  0.686100D+00  0.150261D+01  0.433792D+00  0.116858D+01
      3  -0.239450D+00 -0.139535D+01  0.433792D+00  0.169453D-01 -0.146329D+01
                11            12            13            14            15 
      1   0.116858D+01 -0.146329D+01 -0.146400D+01  0.473045D+01  0.451754D+00
      2   0.175841D+01 -0.218805D+00  0.473045D+01 -0.851315D+00 -0.244648D+00
      3  -0.218805D+00  0.319374D+01  0.451754D+00 -0.244648D+00 -0.800192D+00
                16            17            18            19            20 
      1  -0.310857D+01  0.347702D+00  0.799476D+00  0.118977D+02 -0.452551D+00
      2   0.347702D+00 -0.370289D+00 -0.776709D+00 -0.452551D+00 -0.176327D+01
      3   0.799476D+00 -0.776709D+00  0.889198D+00 -0.272189D+00  0.115949D+01
                21            22            23            24            25 
      1  -0.272189D+00 -0.918590D+00 -0.181219D+01  0.529281D+00  0.111823D+02
      2   0.115949D+01 -0.181219D+01 -0.385747D+00  0.337181D+01 -0.721631D+00
      3  -0.273092D+01  0.529281D+00  0.337181D+01  0.533285D+00  0.118968D+01
                26            27            28            29            30 
      1  -0.721631D+00  0.118968D+01 -0.259819D+02 -0.496036D+00  0.523824D+00
      2   0.221281D+01  0.261863D+00 -0.496036D+00 -0.167710D+01 -0.100454D+00
      3   0.261863D+00  0.581962D+00  0.523824D+00 -0.100454D+00 -0.270591D+01
                31            32            33            34            35 
      1   0.269574D+01 -0.489848D+01 -0.269141D-01  0.135717D+01 -0.197433D+00
      2  -0.489848D+01  0.612638D+00 -0.118758D+00 -0.197433D+00 -0.609081D+00
      3  -0.269141D-01 -0.118758D+00  0.274775D+00 -0.597291D+00 -0.433993D+00
                36            37            38            39            40 
      1  -0.597291D+00  0.797239D+01 -0.329319D+00 -0.375813D+00  0.902844D-01
      2  -0.433993D+00 -0.329319D+00 -0.165747D+01 -0.857459D+00 -0.168020D+01
      3   0.112775D+01 -0.375813D+00 -0.857459D+00 -0.241377D+01 -0.587248D+00
                41            42            43            44            45 
      1  -0.168020D+01 -0.587248D+00 -0.124141D+02  0.426687D+00  0.448700D+00
      2   0.653391D+00 -0.282153D+01  0.426687D+00 -0.157270D+01 -0.797457D-01
      3  -0.282153D+01 -0.170579D+00  0.448700D+00 -0.797457D-01 -0.107412D+01
                46            47            48            49            50 
      1  -0.976062D+01  0.969150D-01  0.622553D+00  0.186370D+01  0.134913D+01
      2   0.969150D-01  0.143304D+01  0.127185D+00  0.134913D+01 -0.456693D+00
      3   0.622553D+00  0.127185D+00  0.140888D+01 -0.626247D+00 -0.322146D+01
                51            52            53            54            55 
      1  -0.626247D+00 -0.103812D+02 -0.369022D+00 -0.483544D+00 -0.135962D+02
      2  -0.322146D+01 -0.369022D+00 -0.186167D+01 -0.103712D-01 -0.212348D+01
      3  -0.728818D+00 -0.483544D+00 -0.103712D-01 -0.790229D+00  0.482535D+00
                56            57            58            59            60 
      1  -0.212348D+01  0.482535D+00 -0.756544D+01 -0.718710D+01  0.513517D+00
      2  -0.309556D+01  0.358470D+00 -0.718710D+01 -0.199150D-01  0.166736D+01
      3   0.358470D+00 -0.202164D+01  0.513517D+00  0.166736D+01  0.305288D+01
                61            62            63            64            65 
      1   0.423198D+01  0.666687D+00 -0.404523D+01 -0.102875D+01  0.257427D+01
      2   0.666687D+00  0.223832D+01  0.411320D+01  0.257427D+01  0.360793D+01
      3  -0.404523D+01  0.411320D+01 -0.980016D+00  0.279477D+01 -0.982885D+00
                66            67            68            69            70 
      1   0.279477D+01  0.116138D+02  0.671231D+01 -0.204903D+01  0.798585D+00
      2  -0.982885D+00  0.671231D+01  0.128655D+01 -0.195743D+01 -0.131953D+01
      3   0.250420D+01 -0.204903D+01 -0.195743D+01 -0.363960D+01  0.384614D+01
                71            72            73            74            75 
      1  -0.131953D+01  0.384614D+01  0.476055D+01 -0.160056D+01 -0.240157D+01
      2  -0.251458D+01 -0.400268D+01 -0.160056D+01 -0.344194D+01  0.122034D+01
      3  -0.400268D+01  0.317325D+01 -0.240157D+01  0.122034D+01 -0.239605D+01
                76            77            78            79            80 
      1  -0.384983D+01 -0.576218D+01  0.165894D+01 -0.229587D+01  0.134715D+01
      2  -0.576218D+01 -0.221752D+01  0.324921D+01  0.134715D+01  0.289895D+01
      3   0.165894D+01  0.324921D+01  0.367678D+01 -0.395285D+01  0.388108D+01
                81            82            83            84            85 
      1  -0.395285D+01  0.591554D+01 -0.266414D+01 -0.195435D+01 -0.378404D+01
      2   0.388108D+01 -0.266414D+01 -0.341642D+01  0.844099D+00 -0.424258D+01
      3  -0.362845D-01 -0.195435D+01  0.844099D+00 -0.210660D+01  0.149435D+01
                86            87            88            89            90 
      1  -0.424258D+01  0.149435D+01 -0.163227D+01  0.126195D+01 -0.269899D+01
      2  -0.408567D+01  0.207772D+01  0.126195D+01  0.344128D+01  0.278044D+01
      3   0.207772D+01  0.312420D+01 -0.269899D+01  0.278044D+01 -0.316521D+01
                91            92            93            94            95 
      1   0.353692D+01  0.252493D+01 -0.236927D+00  0.121732D+01  0.621961D+01
      2   0.252493D+01  0.254069D+01  0.752694D+00  0.621961D+01 -0.204195D+01
      3  -0.236927D+00  0.752694D+00  0.108770D+01  0.615534D+00  0.152459D+01
                96            97            98            99           100 
      1   0.615534D+00  0.359020D+01  0.534001D+00  0.170826D+01  0.174309D+01
      2   0.152459D+01  0.534001D+00  0.349795D+01 -0.387803D+00 -0.658187D+00
      3  -0.279852D+00  0.170826D+01 -0.387803D+00 -0.491992D+01  0.175482D+01
               101           102           103           104           105 
      1  -0.658187D+00  0.175482D+01 -0.211976D+00 -0.156878D+01 -0.515868D+00
      2  -0.634350D+00 -0.506409D+00 -0.156878D+01  0.314278D+01 -0.154329D+01
      3  -0.506409D+00  0.673198D+00 -0.515868D+00 -0.154329D+01  0.193947D+00
               106           107           108           109           110 
      1   0.240362D+01 -0.125836D+01  0.188355D+01 -0.443562D+01  0.793710D+00
      2  -0.125836D+01 -0.936961D+00 -0.109863D+01  0.793710D+00 -0.838036D+00
      3   0.188355D+01 -0.109863D+01  0.435824D+01 -0.377756D+01  0.400781D+00
               111           112           113           114           115 
      1  -0.377756D+01  0.538496D+00 -0.125939D+01  0.710392D+00 -0.735049D+01
      2   0.400781D+00 -0.125939D+01  0.225508D+00 -0.176795D+01  0.206922D+01
      3  -0.208824D+01  0.710392D+00 -0.176795D+01  0.826111D+00 -0.410219D+01
               116           117           118           119           120 
      1   0.206922D+01 -0.410219D+01  0.746246D+00  0.391877D+00  0.130367D+01
      2  -0.321620D+01  0.136223D+01  0.391877D+00  0.200213D+01 -0.245319D+00
      3   0.136223D+01 -0.905169D+01  0.130367D+01 -0.245319D+00  0.180094D+00
               121           122           123           124           125 
      1   0.517694D+00  0.140765D+01 -0.576007D+00  0.295229D+01 -0.189387D+01
      2   0.140765D+01 -0.282666D+01  0.284014D+01 -0.189387D+01  0.548143D+01
      3  -0.576007D+00  0.284014D+01  0.670275D-01 -0.351100D+00  0.175933D+01
               126           127           128           129           130 
      1  -0.351100D+00  0.345211D+01 -0.421378D+00  0.271397D+01 -0.112627D+01
      2   0.175933D+01 -0.421378D+00  0.482020D+00 -0.516118D+00  0.125880D+00
      3   0.312170D+01  0.271397D+01 -0.516118D+00  0.283950D+01 -0.622809D+00
               131           132           133           134           135 
      1   0.125880D+00 -0.622809D+00  0.292115D+01 -0.436060D+00  0.341031D+01
      2  -0.255320D+00  0.271918D+00 -0.436060D+00  0.967460D+00 -0.101967D+01
      3   0.271918D+00 -0.780402D+00  0.341031D+01 -0.101967D+01  0.669316D+01
               136           137           138           139           140 
      1  -0.230586D+01 -0.808211D-01  0.231247D+01  0.168959D+00  0.373333D-01
      2  -0.808211D-01 -0.213233D+00  0.692705D-01  0.373333D-01 -0.712888D-01
      3   0.231247D+01  0.692705D-01 -0.247393D+01 -0.833695D-01  0.176941D+00
               141           142           143           144           145 
      1  -0.833695D-01  0.222439D+01  0.249781D+00 -0.309002D+01 -0.364974D+01
      2   0.176941D+00  0.249781D+00  0.830359D+00 -0.535501D+00  0.531472D+00
      3  -0.288131D+00 -0.309002D+01 -0.535501D+00  0.850067D+01 -0.215232D+01
               146           147           148           149           150 
      1   0.531472D+00 -0.215232D+01  0.925738D+00 -0.154199D+00  0.508479D+00
      2  -0.525146D+00  0.209994D+00 -0.154199D+00  0.204252D+00 -0.207029D+00
      3   0.209994D+00 -0.200681D+01  0.508479D+00 -0.207029D+00  0.620636D+00
               151           152           153           154           155 
      1  -0.278173D+01  0.199865D+00 -0.294037D+01  0.222491D+01  0.419121D-01
      2   0.199865D+00 -0.800395D+00  0.449771D+00  0.419121D-01  0.216175D+00
      3  -0.294037D+01  0.449771D+00 -0.558662D+01 -0.217267D+01  0.156248D+00
               156           157           158           159           160 
      1  -0.217267D+01 -0.205299D+00 -0.280574D-01  0.116714D+00 -0.247123D+01
      2   0.156248D+00 -0.280574D-01 -0.485460D-01 -0.217936D+00 -0.882855D-01
      3   0.215775D+01  0.116714D+00 -0.217936D+00  0.118833D+00  0.303765D+01
               161           162           163           164           165 
      1  -0.882855D-01  0.303765D+01  0.253174D+01 -0.116829D+01 -0.142876D+01
      2  -0.784997D+00 -0.152195D+00 -0.116829D+01  0.142789D+01  0.553923D+00
      3  -0.152195D+00 -0.787453D+01 -0.142876D+01  0.553923D+00  0.772409D+00
               166           167           168           169           170 
      1  -0.148588D+01  0.249268D+01  0.948918D+00 -0.562580D+01  0.936800D+00
      2   0.249268D+01 -0.429700D+01 -0.243946D+01  0.936800D+00 -0.326033D+01
      3   0.948918D+00 -0.243946D+01 -0.190748D+01  0.240468D+01 -0.269982D+01
               171           172           173           174           175 
      1   0.240468D+01  0.246614D+01 -0.922020D+00  0.178398D+01 -0.205101D+00
      2  -0.269982D+01 -0.922020D+00  0.142688D+01 -0.698423D+00  0.164884D+01
      3  -0.304847D+01  0.178398D+01 -0.698423D+00  0.125665D+01 -0.597025D+00
               176           177           178           179           180 
      1   0.164884D+01 -0.597025D+00  0.437545D+01 -0.841064D+00  0.198097D+01
      2  -0.193923D+01  0.114771D+01 -0.841064D+00  0.198486D+01 -0.213854D+01
      3   0.114771D+01 -0.121420D+01  0.198097D+01 -0.213854D+01  0.354238D+01
               181           182           183           184           185 
      1  -0.159693D+01  0.118323D-01 -0.176072D+01 -0.288644D+00 -0.939167D+00
      2   0.118323D-01 -0.110095D+01  0.443169D+00 -0.939167D+00  0.142840D+01
      3  -0.176072D+01  0.443169D+00 -0.139318D+01  0.376764D+00 -0.115602D+01
               186           187           188           189           190 
      1   0.376764D+00 -0.276461D+01  0.237169D+00 -0.118375D+01  0.912541D+00
      2  -0.115602D+01  0.237169D+00 -0.133445D+01  0.186240D+01 -0.999145D+00
      3   0.207391D+01 -0.118375D+01  0.186240D+01 -0.537658D+01 -0.111370D+01
               191           192           193           194           195 
      1  -0.999145D+00 -0.111370D+01 -0.222864D+01  0.195144D+01  0.128493D+01
      2   0.794709D+00  0.442381D+00  0.195144D+01 -0.300305D+01 -0.260350D+01
      3   0.442381D+00  0.113036D+01  0.128493D+01 -0.260350D+01 -0.297025D+01
               196           197           198           199           200 
      1  -0.258379D+01  0.990551D+00  0.269454D+01  0.376941D+01 -0.833165D+00
      2   0.990551D+00 -0.259839D+01 -0.272602D+01 -0.833165D+00  0.114566D+01
      3   0.269454D+01 -0.272602D+01 -0.488394D+01  0.194592D+01 -0.606980D+00
               201           202           203           204           205 
      1   0.194592D+01 -0.167673D+01  0.179695D+01 -0.837640D+00  0.473977D+01
      2  -0.606980D+00  0.179695D+01 -0.114068D+01  0.682257D+00 -0.105033D+01
      3   0.170962D+01 -0.837640D+00  0.682257D+00 -0.148040D+01  0.275640D+01
               206           207           208           209           210 
      1  -0.105033D+01  0.275640D+01  0.440792D+01  0.284193D+01 -0.101470D+01
      2   0.123866D+01 -0.142913D+01  0.284193D+01  0.240579D+01 -0.803740D+00
      3  -0.142913D+01  0.373135D+01 -0.101470D+01 -0.803740D+00  0.951961D+00
               211           212           213           214           215 
      1   0.607341D+01  0.444677D+01 -0.168018D+01 -0.135186D+01 -0.105640D+01
      2   0.444677D+01  0.559060D+01 -0.168195D+01 -0.105640D+01 -0.143420D+01
      3  -0.168018D+01 -0.168195D+01  0.122270D+01  0.181415D+01  0.816192D+00
               216           217           218           219           220 
      1   0.181415D+01  0.131801D+01  0.184396D+00  0.186114D+01 -0.608092D+00
      2   0.816192D+00  0.184396D+00  0.101499D+01 -0.318771D-01  0.682630D+00
      3  -0.119596D+01  0.186114D+01 -0.318771D-01  0.225949D+01 -0.615232D+00
               221           222           223           224           225 
      1   0.682630D+00 -0.615232D+00  0.234806D+01  0.304297D-01  0.226297D+01
      2  -0.253899D+00  0.650854D+00  0.304297D-01  0.109695D+01 -0.181007D+00
      3   0.650854D+00 -0.173771D+01  0.226297D+01 -0.181007D+00  0.637513D+01
               226           227           228           229           230 
      1  -0.876864D+01  0.575206D+00  0.113587D+01 -0.297515D-01 -0.138083D+01
      2   0.575206D+00 -0.194205D+01 -0.780007D+00 -0.138083D+01  0.114220D+01
      3   0.113587D+01 -0.780007D+00 -0.100400D+01 -0.584668D+00  0.520946D-01
               231           232           233           234           235 
      1  -0.584668D+00  0.103447D+01 -0.461458D+00 -0.580034D+00  0.225181D+01
      2   0.520946D-01 -0.461458D+00 -0.113410D+00  0.171670D+00  0.284061D+01
      3   0.677207D-01 -0.580034D+00  0.171670D+00  0.982276D+00  0.110884D+00
               236           237           238           239           240 
      1   0.284061D+01  0.110884D+00  0.296095D+01  0.396519D+01 -0.139520D+00
      2   0.328844D+01  0.372621D-01  0.396519D+01  0.890946D+01 -0.171789D+00
      3   0.372621D-01  0.767372D+00 -0.139520D+00 -0.171789D+00  0.753336D+00
               241           242           243           244           245 
      1  -0.853954D+00 -0.801049D+00  0.860896D+00  0.243300D+00 -0.397711D+00
      2  -0.801049D+00 -0.180997D+01  0.778921D+00 -0.397711D+00 -0.538870D+00
      3   0.860896D+00  0.778921D+00 -0.212010D+00  0.171475D+01 -0.124954D+00
               246           247           248           249           250 
      1   0.171475D+01 -0.473934D+00 -0.103188D+01 -0.867820D-01  0.293955D+01
      2  -0.124954D+00 -0.103188D+01  0.259724D+00  0.807303D+00 -0.671942D-01
      3  -0.125636D+01 -0.867820D-01  0.807303D+00  0.693430D-02 -0.211133D+01
               251           252           253           254           255 
      1  -0.671942D-01 -0.211133D+01  0.890724D+01 -0.804909D+00 -0.140760D+01
      2   0.116452D+01  0.114217D+00 -0.804909D+00 -0.380389D+01 -0.759312D-01
      3   0.114217D+00  0.650657D+01 -0.140760D+01 -0.759312D-01 -0.108457D+01
               256           257           258           259           260 
      1  -0.609583D+01 -0.445641D+01 -0.608474D+00 -0.445588D+01 -0.819595D+00
      2  -0.445641D+01  0.162710D+01 -0.266168D+01 -0.819595D+00 -0.372729D+01
      3  -0.608474D+00 -0.266168D+01  0.460664D+00 -0.140434D+01  0.115604D+01
               261           262           263           264           265 
      1  -0.140434D+01 -0.108675D+01  0.150765D+01  0.420095D-01  0.159600D+01
      2   0.115604D+01  0.150765D+01 -0.202323D+01  0.558999D-01 -0.262455D+01
      3   0.405315D+01  0.420095D-01  0.558999D-01 -0.300489D+00  0.178006D+00
               266           267           268           269           270 
      1  -0.262455D+01  0.178006D+00 -0.733804D+00  0.123529D+01 -0.435614D+00
      2   0.862529D+01 -0.375898D+00  0.123529D+01 -0.350105D+01  0.105893D+01
      3  -0.375898D+00  0.118569D+01 -0.435614D+00  0.105893D+01 -0.390577D+00
               271           272           273           274           275 
      1  -0.408249D+00  0.865863D-01 -0.666634D+00  0.574747D+00  0.335068D+00
      2   0.865863D-01  0.678822D+00  0.172330D+00  0.335068D+00 -0.416629D+00
      3  -0.666634D+00  0.172330D+00  0.347667D+00 -0.439270D-01 -0.676523D+00
               276           277           278           279           280 
      1  -0.439270D-01 -0.205396D+01 -0.525603D+00 -0.480824D+00 -0.155178D+02
      2  -0.676523D+00 -0.525603D+00 -0.171573D+01 -0.142220D+01 -0.203506D+01
      3  -0.766992D+00 -0.480824D+00 -0.142220D+01 -0.589288D+01  0.496223D+00
               281           282           283           284           285 
      1  -0.203506D+01  0.496223D+00  0.864355D+00 -0.104498D+01  0.478265D-01
      2  -0.149311D+01 -0.512151D-01 -0.104498D+01 -0.227229D+00  0.320671D+00
      3  -0.512151D-01 -0.963152D+00  0.478265D-01  0.320671D+00  0.880096D-01
               286           287           288           289           290 
      1   0.168974D+01  0.354398D+00 -0.131647D+01 -0.889573D-01 -0.810638D+00
      2   0.354398D+00  0.634878D+00 -0.296086D+00 -0.810638D+00  0.212333D+01
      3  -0.131647D+01 -0.296086D+00 -0.340535D-01  0.556703D+00 -0.283991D+00
               291           292           293           294           295 
      1   0.556703D+00 -0.107234D+01  0.194539D-01  0.244321D-02  0.134235D+01
      2  -0.283991D+00  0.194539D-01 -0.749120D+01  0.174557D+01  0.333110D+00
      3   0.466539D+00  0.244321D-02  0.174557D+01 -0.134339D+01  0.709274D-01
               296           297 
      1   0.333110D+00  0.709274D-01
      2   0.297066D+01 -0.160997D+01
      3  -0.160997D+01  0.859364D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234535D+01  0.292323D+01  0.187832D+01  0.906443D+01  0.169095D+01
      2   0.545409D+01 -0.165554D+01  0.356130D+01 -0.203119D+01 -0.105646D+01
      3   0.125081D+02 -0.185338D+01 -0.361427D+00  0.102613D+02  0.962906D-02
                 6             7             8             9            10 
      1  -0.207888D+01 -0.100248D+01  0.313099D+01  0.310980D+00 -0.390654D+01
      2  -0.204412D+00 -0.921661D+01  0.267062D+00  0.194185D+00 -0.145155D+02
      3  -0.450649D+01 -0.122878D+02 -0.234616D+01  0.979755D+00 -0.275521D+02
                11            12            13            14            15 
      1  -0.752848D+00  0.174012D+01  0.151614D+01  0.418219D+00 -0.992678D+01
      2   0.335857D-01 -0.244175D+01  0.187767D+01 -0.211051D+01 -0.113204D+00
      3  -0.471602D+00  0.581970D+00  0.111381D+02 -0.207547D+01  0.101388D+00
                16            17            18            19            20 
      1  -0.297600D+01 -0.397058D+01 -0.669780D+00 -0.249442D+01 -0.136605D+01
      2  -0.226017D+02 -0.291378D+01 -0.342840D+01 -0.751133D+01  0.270149D+00
      3   0.260236D+01  0.689783D+00 -0.815679D-01 -0.108603D+02  0.222851D+00
                21            22            23            24            25 
      1  -0.112781D+01 -0.536183D+01  0.227807D+01 -0.100945D-02 -0.127049D+00
      2   0.811843D+01 -0.134126D+01  0.465993D+00 -0.135834D+01 -0.111792D+02
      3  -0.532497D-01  0.113503D+02  0.736202D+00  0.281250D+01 -0.105907D+02
                26            27            28            29            30 
      1   0.407141D+01  0.919271D+00  0.144761D+01 -0.222510D+00 -0.255327D+01
      2   0.683836D+00  0.149576D+01  0.106450D+02  0.115863D+01 -0.343798D+01
      3   0.372034D+01 -0.170603D+01  0.226654D+02 -0.217519D+00 -0.116854D+01
                31            32            33            34            35 
      1  -0.293032D+01  0.120036D+01 -0.951453D+01 -0.445173D+01 -0.296776D+01
      2  -0.568163D+00  0.288779D+01  0.131421D+01 -0.245683D+02  0.113342D+01
      3   0.736417D+01  0.419975D+01 -0.515650D+00 -0.206061D+00 -0.387814D+01
                36            37            38            39            40 
      1  -0.111215D+00 -0.115827D+01  0.113124D+01 -0.126785D+01  0.641362D+01
      2  -0.408354D+00 -0.941709D+01 -0.150111D+01  0.572962D+01 -0.100535D+01
      3   0.394017D+01 -0.819805D+01 -0.505174D+00  0.154234D+01  0.129513D+02
                41            42            43            44            45 
      1  -0.235240D+01 -0.328700D+01  0.280038D+01  0.217282D+01 -0.108980D+01
      2  -0.112553D+01  0.180742D+00  0.329115D+01  0.460331D+00 -0.288766D+01
      3   0.591684D-02 -0.310926D+01  0.120528D+02 -0.191228D+01 -0.189874D+01
                46            47            48            49            50 
      1   0.286299D+01 -0.149124D+01  0.139302D+01 -0.606080D+01 -0.140028D+01
      2   0.103833D+02  0.186335D+00  0.104811D+02 -0.112929D+01  0.610284D+00
      3   0.133562D+02 -0.511520D+00  0.481894D+00  0.121402D+02 -0.471288D+00
                51            52            53            54            55 
      1  -0.258205D+01  0.119752D+01  0.305964D+01 -0.230912D+00  0.323010D+01
      2  -0.188118D+01  0.205853D+01 -0.157367D+00  0.494719D+01  0.237643D+01
      3   0.308987D+01  0.110706D+02  0.136128D+01  0.918008D+00  0.148868D+02
                56            57            58            59            60 
      1   0.180221D+01 -0.133102D+01  0.510153D+01  0.421783D+01  0.178763D+01
      2   0.275495D+00 -0.430042D+01  0.123443D+01  0.624597D+01  0.137484D+02
      3   0.752787D+01 -0.865595D+00  0.368142D+02  0.806692D+01 -0.565645D+01
                61            62            63            64            65 
      1  -0.202633D+01  0.712244D+01 -0.182463D+01 -0.438883D+01 -0.938295D+00
      2  -0.234390D+02  0.151123D+02 -0.563364D+01  0.858258D+01 -0.336351D+01
      3  -0.707139D+01 -0.714035D+01 -0.991206D+01 -0.173053D+02 -0.189943D+02
                66            67            68            69            70 
      1  -0.162262D+01 -0.226337D+01 -0.632975D+00  0.195270D+00  0.171835D+01
      2   0.153261D+02 -0.820735D+01 -0.667741D+01 -0.183031D+02  0.121417D+02
      3   0.551390D+01 -0.282716D+02 -0.588736D+01  0.613358D+01  0.970671D+01
                71            72            73            74            75 
      1   0.739875D+01 -0.777350D+00  0.187362D+01  0.223537D+01 -0.481066D+00
      2  -0.177088D+02  0.166018D+02 -0.904225D+01  0.551190D+01 -0.142533D+02
      3   0.923264D+01  0.172391D+02  0.947668D+01  0.175757D+02 -0.719274D+01
                76            77            78            79            80 
      1   0.420142D+01  0.830366D+00 -0.539705D+01 -0.929679D-01 -0.168456D+01
      2   0.699228D+01  0.142349D+02  0.233907D+02 -0.293042D+02  0.228661D+02
      3   0.371399D+02  0.111670D+02 -0.185243D+02 -0.744673D+01 -0.160708D+02
                81            82            83            84            85 
      1  -0.252685D+01  0.304519D+01 -0.489552D+01  0.498174D+01 -0.641619D+01
      2  -0.172140D+01 -0.146807D+02  0.681479D+01 -0.262847D+01  0.864832D+01
      3  -0.221128D+02  0.226328D+02  0.490778D+01 -0.791213D+01  0.133039D+02
                86            87            88            89            90 
      1  -0.102496D+02 -0.706872D+01  0.644344D+01 -0.644208D+00  0.937591D+01
      2   0.104598D+02  0.100545D+02 -0.906021D+01  0.889393D+01 -0.102154D+02
      3   0.847081D+01 -0.567914D+01 -0.910384D+01 -0.101799D+02 -0.136142D+02
                91            92            93            94            95 
      1   0.809011D+00  0.797617D+00  0.194099D+01  0.190899D+01 -0.626783D+00
      2  -0.422042D+01 -0.315800D+01  0.269550D+00  0.594402D+00 -0.938755D+01
      3  -0.659082D-01  0.276113D+01  0.257105D+01  0.326113D+02 -0.107970D+02
                96            97            98            99           100 
      1  -0.347745D+01  0.250569D+01  0.475132D+01 -0.189987D+01 -0.105377D+01
      2   0.428385D+00 -0.168964D+02  0.189283D+01  0.175592D+02  0.468265D+01
      3   0.562161D+01 -0.270857D+01  0.107007D+02 -0.292350D+01  0.119872D+02
               101           102           103           104           105 
      1  -0.595008D+01 -0.315403D+01 -0.188071D+01  0.115683D+00  0.590122D+00
      2  -0.147964D+00  0.402484D+01 -0.221101D+01  0.701244D+01  0.449522D+01
      3  -0.166751D+02 -0.112856D+01 -0.954100D+01  0.440123D+01 -0.243701D+01
               106           107           108           109           110 
      1  -0.591370D+01 -0.483903D+00 -0.455723D+01  0.438809D+01  0.350127D+01
      2  -0.511335D+01  0.463445D+01 -0.230800D+02  0.932321D+01 -0.113641D+01
      3  -0.405542D+01  0.484831D+01 -0.254617D+01 -0.361238D+01 -0.280657D+01
               111           112           113           114           115 
      1   0.277632D+01  0.685194D+00  0.115019D+01 -0.340300D+01  0.349032D+01
      2   0.877849D+01  0.268468D+00  0.605518D+01 -0.495235D+01  0.686929D+01
      3  -0.113853D+01 -0.573525D+00  0.232411D+01 -0.643481D+01  0.880445D+01
               116           117           118           119           120 
      1   0.796302D+01  0.111041D+02 -0.351483D+01  0.237746D+01 -0.607350D+00
      2  -0.391829D+01  0.357391D+02 -0.575413D+01  0.171284D+01  0.998842D+00
      3  -0.156371D+02  0.355073D+01  0.701411D+00  0.705149D+01  0.166655D+01
               121           122           123           124           125 
      1   0.332343D+00 -0.451394D+01 -0.367127D+01 -0.253454D+01  0.626776D+01
      2  -0.512540D+00 -0.994990D+01 -0.124796D+01 -0.242895D+01 -0.495603D+01
      3   0.652540D+01 -0.489670D+01  0.881831D+01 -0.413377D+01  0.161645D+02
               126           127           128           129           130 
      1  -0.809167D+01  0.212742D+01  0.201614D+01  0.208054D+01 -0.102757D+01
      2  -0.106897D+02 -0.623818D+01 -0.347975D-01 -0.106313D+01  0.152676D+01
      3   0.607798D+01 -0.331742D+01 -0.134828D+01 -0.195568D+01  0.281392D+01
               131           132           133           134           135 
      1  -0.117262D+00 -0.219674D+01  0.289163D+01  0.305852D+01  0.477413D+01
      2  -0.439573D-01 -0.228410D+00 -0.429452D+01 -0.245404D+00  0.123516D+01
      3   0.377225D+00  0.379581D+00 -0.273887D+01 -0.202708D+01 -0.206592D+01
               136           137           138           139           140 
      1   0.176884D+01 -0.170630D+01 -0.192143D+01  0.358415D+00  0.178434D+00
      2   0.511925D+01  0.746745D-01 -0.167549D+01 -0.546343D+00 -0.236239D-01
      3   0.163652D+01 -0.760213D+00 -0.163294D+01  0.126873D+01 -0.490923D-01
               141           142           143           144           145 
      1  -0.183268D+01 -0.192107D+01  0.389734D+01  0.529187D+01 -0.247936D+01
      2   0.442576D+00 -0.482599D+01 -0.180965D+00 -0.104618D+01 -0.752894D+01
      3   0.129941D-01 -0.142626D+01  0.165962D+01  0.195434D+01  0.265926D+01
               146           147           148           149           150 
      1   0.257833D+01 -0.140290D+01  0.435307D+00 -0.543896D+00 -0.107907D+01
      2   0.116058D+01 -0.143860D+01  0.125083D+01 -0.238081D+00  0.330047D+00
      3  -0.156149D+01  0.144009D+01  0.691472D+00  0.420414D+00 -0.190082D+00
               151           152           153           154           155 
      1  -0.182664D+01  0.349698D+01 -0.348882D+01 -0.205210D+01 -0.157848D+01
      2  -0.434667D+01 -0.150288D-01  0.103823D+01  0.464426D+01  0.423738D+00
      3   0.157019D+01 -0.225926D+01  0.206104D+01 -0.138916D+01 -0.702874D+00
               156           157           158           159           160 
      1   0.131905D+01  0.164077D+00 -0.209303D+00 -0.167724D+01  0.259876D+01
      2  -0.132612D+01 -0.117043D+00 -0.279770D+00 -0.108219D+00 -0.464078D+01
      3   0.123463D+01  0.173386D+01  0.238991D+00 -0.112376D-01  0.196999D+01
               161           162           163           164           165 
      1   0.387145D+01 -0.533881D+01 -0.117352D+01 -0.108176D+00  0.147595D+01
      2  -0.347180D+00 -0.233635D+01 -0.500937D+01  0.153898D+01  0.433701D+01
      3   0.189819D+01 -0.175241D+01 -0.265908D+00 -0.443255D+01 -0.296327D-01
               166           167           168           169           170 
      1   0.472463D+00 -0.136806D+01 -0.366228D+01  0.276936D+01 -0.109352D+01
      2   0.240665D+01 -0.855840D+01 -0.739471D+01  0.595472D+01 -0.100097D+02
      3  -0.371635D+01  0.107375D+02  0.588107D+01  0.367921D+01  0.968235D+01
               171           172           173           174           175 
      1  -0.402308D+01  0.200663D+01 -0.313965D+00  0.194745D+01 -0.144691D+01
      2  -0.100677D+02  0.673974D+01 -0.254001D+01  0.601167D+01 -0.173178D+01
      3   0.563077D+01 -0.769048D-01 -0.490574D+01  0.456451D+00 -0.241322D+01
               176           177           178           179           180 
      1   0.805133D+00 -0.318238D+01  0.208411D+01 -0.664947D+00  0.531919D+01
      2   0.353818D+01 -0.485946D+01  0.290739D+01 -0.774141D+01  0.133540D+02
      3   0.439963D+01 -0.236824D+01 -0.268791D+01 -0.601849D+01  0.432120D+01
               181           182           183           184           185 
      1   0.230792D+01  0.128073D+01  0.151809D+01  0.367210D+00 -0.589588D+00
      2  -0.103991D+02  0.184499D+01 -0.665026D+01  0.196449D+01 -0.519275D+01
      3  -0.258946D+01  0.338423D+01 -0.287084D+01  0.602045D+01 -0.559934D+01
               186           187           188           189           190 
      1  -0.210582D+01  0.158061D+01  0.174201D+01  0.325997D+01  0.127921D+01
      2   0.789441D+01 -0.107167D+02  0.730332D+01 -0.220405D+02 -0.550380D+01
      3   0.476178D+01 -0.340469D+01  0.482264D+01 -0.878482D+01  0.538498D+01
               191           192           193           194           195 
      1  -0.101947D+01 -0.271554D+00 -0.162563D+01  0.412384D+01  0.113620D+01
      2   0.168378D+01  0.615717D+01  0.373998D+01 -0.127846D+02 -0.162988D+02
      3  -0.533776D+01 -0.278608D+01 -0.819957D+01  0.168800D+02  0.140216D+02
               196           197           198           199           200 
      1  -0.118639D+01  0.484095D+01  0.232936D+01  0.144694D+00 -0.220526D-02
      2   0.991554D+01 -0.145260D+02 -0.247627D+02  0.128948D+02 -0.408392D+01
      3  -0.443334D+01  0.149245D+02  0.149419D+02  0.489374D+01 -0.772741D+01
               201           202           203           204           205 
      1   0.574700D+00 -0.811150D+00 -0.752629D-01 -0.123012D+01 -0.167786D-01
      2   0.125315D+02 -0.528520D+01  0.492256D+01 -0.975250D+01  0.154802D+02
      3   0.368616D+01 -0.820795D+01  0.677727D+01 -0.376397D+01  0.571240D+01
               206           207           208           209           210 
      1   0.156740D+01  0.733577D+00 -0.200606D+01 -0.206097D+01 -0.605907D+00
      2  -0.883934D+01  0.238785D+02 -0.198686D+01 -0.227536D+01  0.654789D+01
      3  -0.800941D+01  0.828255D+01 -0.134051D+02 -0.146303D+02  0.428149D+01
               211           212           213           214           215 
      1  -0.252659D+01 -0.449299D+01 -0.131912D+01  0.237043D-01  0.189796D+01
      2  -0.444393D+01 -0.613627D+01  0.666473D+01  0.770936D+01  0.333173D+01
      3  -0.200724D+02 -0.310828D+02  0.873643D+01  0.513979D+01  0.816275D+01
               216           217           218           219           220 
      1   0.320171D+00 -0.376940D+01  0.186504D+01 -0.438236D+01  0.156259D+01
      2  -0.530006D+01  0.541466D+01  0.135153D+00  0.757903D+01 -0.595943D+00
      3  -0.372300D+01  0.587065D+00 -0.454705D+01  0.257502D+01 -0.204565D+01
               221           222           223           224           225 
      1  -0.222386D+01  0.299137D+01 -0.429687D+01  0.467523D+01 -0.124225D+02
      2   0.185079D+01 -0.659933D+01  0.250814D+01 -0.767222D+00  0.212551D+02
      3   0.249363D+01 -0.292093D+01  0.322697D+01 -0.501569D+01  0.358357D+01
               226           227           228           229           230 
      1  -0.353047D+01 -0.887319D+00  0.227635D+01 -0.656872D+00  0.283409D+00
      2   0.150726D+02 -0.280747D+01 -0.315047D+01 -0.159940D+01  0.184544D+01
      3  -0.225734D+02  0.549812D+01  0.494875D+01  0.650643D+01 -0.538880D+01
               231           232           233           234           235 
      1  -0.549320D+00  0.243619D+01  0.132234D+01 -0.177245D+01  0.192622D+01
      2  -0.636284D-01 -0.616365D+01  0.537846D+00  0.334453D+01 -0.121737D+01
      3  -0.129249D+01  0.403159D+01 -0.759007D-01 -0.195234D+01 -0.631137D+01
               236           237           238           239           240 
      1   0.306132D+01 -0.290323D+01  0.448082D+01  0.790507D+01 -0.449389D+01
      2  -0.192848D+01  0.394225D+01 -0.325900D+01 -0.382839D+01  0.400418D+01
      3  -0.910530D+01 -0.676652D-01 -0.600286D+01 -0.273968D+02  0.686915D-01
               241           242           243           244           245 
      1  -0.222380D+01 -0.165505D+01  0.133939D+01  0.473477D+00 -0.697162D+00
      2   0.265530D+01  0.306623D+01 -0.117355D+01 -0.669294D+01  0.569545D+00
      3   0.177396D+01  0.585352D+01 -0.146190D+01 -0.869114D+00 -0.238756D+01
               246           247           248           249           250 
      1  -0.771068D+00 -0.418740D+00  0.802429D+00 -0.268477D+00 -0.125493D+01
      2   0.401371D+01  0.372114D+00 -0.176091D+01  0.779831D-01  0.161953D+01
      3  -0.119002D+01 -0.153123D+01  0.103484D+01  0.230212D+01 -0.120782D+01
               251           252           253           254           255 
      1   0.333264D+01  0.259814D+01 -0.190429D+01  0.716705D+00 -0.304448D+01
      2  -0.495108D+00 -0.206968D+02  0.992559D+01  0.139627D+01  0.726479D+01
      3   0.334922D+01  0.193030D+01 -0.202203D+02 -0.167205D+02  0.195027D+01
               256           257           258           259           260 
      1  -0.140609D+01 -0.656916D+01  0.672811D+00 -0.829090D+00  0.606124D+01
      2   0.437538D+01  0.112427D+02 -0.350251D+01  0.485094D+01 -0.527516D+01
      3  -0.838053D+01  0.138947D+02 -0.997969D+01  0.132326D+01 -0.128075D+02
               261           262           263           264           265 
      1   0.867153D+01  0.772526D+00 -0.124043D+01  0.940054D+00 -0.230633D+01
      2  -0.193546D+02  0.203920D+00 -0.850628D+00  0.836175D+00 -0.970434D+00
      3   0.621651D+01  0.311331D+01 -0.468398D+01 -0.609253D+00 -0.396677D+01
               266           267           268           269           270 
      1   0.700235D+01 -0.362434D+01  0.126376D+01 -0.308428D+01  0.241593D+01
      2   0.268902D+01 -0.408322D+01  0.110826D+01 -0.384192D+01  0.183249D+01
      3   0.257407D+02 -0.965768D+00  0.241107D+01 -0.109865D+02  0.316672D+01
               271           272           273           274           275 
      1  -0.178838D+01 -0.509685D+00  0.899222D+00 -0.311189D+00 -0.203836D+01
      2   0.476182D+01 -0.490975D+00 -0.207292D+01  0.862404D+00  0.296377D+01
      3   0.183181D+00  0.172293D+01  0.160463D+01  0.130931D+01 -0.183483D+01
               276           277           278           279           280 
      1  -0.175831D+01  0.905500D-01  0.698782D+00 -0.121500D+02  0.885645D+00
      2   0.290304D+01 -0.240305D+01  0.527724D+01  0.244635D+02 -0.372202D+01
      3  -0.237061D+01  0.185519D+01 -0.542087D+01 -0.480272D+01  0.169240D+02
               281           282           283           284           285 
      1   0.670510D-01 -0.226126D+01  0.340672D+00  0.782745D+00 -0.511521D+00
      2   0.232492D+00  0.740534D+01 -0.622341D+00 -0.143467D+01  0.168312D+00
      3  -0.630341D+01 -0.126414D+01 -0.393285D+01  0.772240D+00  0.126832D+01
               286           287           288           289           290 
      1  -0.229666D+01  0.302929D+00 -0.360856D+00  0.152570D+01 -0.613015D+00
      2   0.422340D+01  0.959305D+00  0.551846D+00 -0.249468D+01  0.915367D+00
      3  -0.122060D+01  0.216460D+01  0.839432D+00 -0.481902D+01  0.844931D+01
               291           292           293           294           295 
      1   0.196728D+01 -0.244180D+00  0.425355D+01 -0.521126D+01  0.917185D+00
      2  -0.173908D+01  0.634078D-01 -0.643604D+01  0.485386D+01 -0.220672D+01
      3  -0.226024D+01  0.502388D+01 -0.278362D+02  0.701694D+01 -0.220685D+01
               296           297 
      1  -0.236703D+01  0.252441D+01
      2   0.568551D+01 -0.294808D+01
      3   0.105505D+02 -0.629590D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.743698D+01  0.373444D+01 -0.273637D+02  0.721422D+01 -0.124871D+02
      2   0.469376D+01 -0.406304D+01  0.827790D+01 -0.723459D+01  0.135010D+02
      3   0.274321D+01  0.328601D+00  0.190858D+02  0.203735D-01 -0.101389D+01
      4   0.639327D+01  0.333246D+01  0.334093D+01  0.106512D+02 -0.293432D+01
      5  -0.142202D+02  0.328830D+01 -0.606316D+01  0.430248D+01  0.607944D+01
      6   0.349745D+01  0.488400D+01 -0.308907D+01  0.455625D+01 -0.953394D+01
                 6             7             8             9            10 
      1   0.968427D+01  0.359575D+02  0.339042D+01  0.849278D+01  0.456675D+02
      2  -0.112129D+02 -0.264055D+01 -0.669009D+01  0.311281D+01 -0.187728D+02
      3   0.152866D+01 -0.333169D+02  0.329967D+01 -0.116056D+02 -0.268947D+02
      4   0.582770D+01 -0.342830D+01  0.533278D+01  0.311486D+01 -0.121248D+02
      5   0.301845D+01  0.213510D+01  0.195509D+01 -0.990013D+01 -0.978464D+01
      6   0.133524D+02  0.472535D+01  0.520898D+01  0.327333D+01  0.616377D+01
                11            12            13            14            15 
      1   0.727908D+01 -0.498006D+01  0.791479D+01  0.875920D+00  0.900714D+00
      2  -0.647805D+01  0.983967D+00 -0.117355D+02  0.913667D+01  0.131990D+01
      3  -0.801028D+00  0.399609D+01  0.382072D+01 -0.100126D+02 -0.222062D+01
      4   0.353729D+00  0.155120D+00  0.216979D+02 -0.441036D+01 -0.136641D+01
      5  -0.511144D+00  0.933035D+01  0.447258D+01 -0.409231D+00 -0.313158D+01
      6   0.151882D+01 -0.773651D+01  0.966621D+00  0.214648D+01  0.605444D+01
                16            17            18            19            20 
      1  -0.991157D+01 -0.930869D+00 -0.212207D+02  0.756506D+01 -0.713394D+01
      2  -0.104547D+01  0.371130D+01 -0.937636D+00  0.479670D-01  0.593310D+01
      3   0.109570D+02 -0.278043D+01  0.221583D+02 -0.761303D+01  0.120085D+01
      4   0.200097D+01 -0.200574D+01 -0.406892D+01 -0.485202D+01 -0.470685D+00
      5  -0.175386D+02 -0.348677D+01  0.107204D+01  0.135106D+02 -0.447338D+00
      6  -0.802607D+00 -0.412354D+01 -0.215966D+01 -0.217038D+01 -0.586161D+01
                21            22            23            24            25 
      1   0.277691D+02 -0.139674D+00 -0.114063D+02 -0.146595D+01 -0.201563D+02
      2  -0.115241D+02  0.210793D+01  0.875709D+01 -0.644205D+01 -0.323553D+01
      3  -0.162450D+02 -0.196826D+01  0.264923D+01  0.790800D+01  0.233918D+02
      4   0.918836D+00  0.125390D+02  0.348377D+01 -0.525383D+01 -0.536628D+01
      5  -0.114472D+02 -0.414139D+01 -0.441902D+01  0.192009D+01  0.692039D+01
      6   0.806432D+01 -0.446845D+01 -0.569909D+01  0.150254D+02 -0.248142D+01
                26            27            28            29            30 
      1   0.701742D+00  0.107633D+02  0.147108D+02 -0.598713D-01  0.209957D+01
      2  -0.363938D+01  0.562823D+01 -0.138530D+01  0.412030D+01  0.174519D+01
      3   0.293763D+01 -0.163915D+02 -0.133255D+02 -0.406043D+01 -0.384476D+01
      4  -0.654757D+01 -0.467010D+00  0.235777D+02  0.238616D+01  0.379165D+00
      5  -0.413611D+00  0.975618D+01 -0.215812D+00  0.331669D+00  0.792479D+01
      6   0.765973D+01  0.817205D+00 -0.589949D+00 -0.273926D+01  0.360850D+01
                31            32            33            34            35 
      1  -0.218709D+01  0.115033D+01  0.148533D+01 -0.422689D+01  0.351254D+01
      2   0.438513D+01  0.689370D+01 -0.847859D+00 -0.589554D+00  0.907249D+00
      3  -0.219804D+01 -0.804403D+01 -0.637469D+00  0.481645D+01 -0.441979D+01
      4   0.188874D+02  0.183372D+01  0.216122D+01  0.600127D+00  0.568508D+01
      5   0.677677D+00  0.164073D+01 -0.977336D-01 -0.216846D+02 -0.521458D+00
      6  -0.313997D+01  0.684093D+00  0.292391D+01  0.146680D+01 -0.477236D+01
                36            37            38            39            40 
      1  -0.253476D+02  0.881617D+00 -0.151178D+01 -0.276440D+02 -0.245432D+01
      2   0.263007D+00 -0.341081D+00  0.305093D+01  0.108065D+02  0.154878D+01
      3   0.250846D+02 -0.540537D+00 -0.153916D+01  0.168375D+02  0.905542D+00
      4  -0.291128D+01 -0.124894D+01  0.139880D+01  0.432509D+00  0.562563D+01
      5  -0.859927D+00 -0.216920D+02  0.143549D+01 -0.135853D+01  0.314537D+01
      6  -0.390841D+01  0.491745D+01  0.577198D+01  0.448590D+01  0.653667D+01
                41            42            43            44            45 
      1  -0.885830D+01 -0.116827D+01  0.239593D+02 -0.390155D+01  0.124224D+02
      2   0.957513D+01  0.235882D+01  0.307369D+01  0.141927D+01  0.875433D+00
      3  -0.716830D+00 -0.119054D+01 -0.270330D+02  0.248228D+01 -0.132978D+02
      4   0.240098D+01  0.629375D+01  0.645952D+01  0.565768D+01  0.244510D+01
      5   0.356187D+01  0.218346D+01  0.131884D+02  0.976554D+00 -0.952001D+01
      6   0.346397D+01  0.987514D+01  0.284721D+00  0.498941D+01  0.524991D+01
                46            47            48            49            50 
      1  -0.173469D+01 -0.236917D+01  0.250466D+02  0.484751D+01 -0.108694D+02
      2   0.582689D+01 -0.351064D-01 -0.903367D+01 -0.235343D+01  0.109716D+02
      3  -0.409220D+01  0.240427D+01 -0.160129D+02 -0.249408D+01 -0.102130D+00
      4   0.303540D+01  0.777866D+00 -0.168829D+01  0.378008D+01  0.253442D-01
      5   0.238523D+02 -0.148107D+01 -0.657010D+01 -0.573564D+01 -0.301701D+01
      6  -0.474962D+01 -0.339477D+01 -0.607408D-01 -0.328114D+01  0.707459D+01
                51            52            53            54            55 
      1  -0.117746D+02 -0.267739D+02 -0.508164D+01  0.122652D+02 -0.328493D+02
      2   0.837176D+01  0.253961D+01  0.511970D+01  0.654911D+01  0.155902D+02
      3   0.340289D+01  0.242342D+02 -0.380567D-01 -0.188143D+02  0.172590D+02
      4  -0.457707D+01  0.416379D+01 -0.410967D+01 -0.203736D-01 -0.113311D+01
      5   0.338876D+00  0.109629D+02  0.251692D-01  0.921307D+01  0.176070D+01
      6   0.129154D+02 -0.193192D+01  0.656432D+01  0.241220D+01 -0.501455D+01
                56            57            58            59            60 
      1  -0.996347D+01 -0.218546D+01 -0.468103D+02 -0.278419D+02  0.949199D+01
      2   0.620387D+01  0.123203D+01  0.261235D+02  0.117168D+02 -0.655601D+01
      3   0.375960D+01  0.953427D+00  0.206868D+02  0.161251D+02 -0.293598D+01
      4  -0.213028D+02  0.199102D+01 -0.487934D+02  0.579162D+01  0.118956D+02
      5   0.279934D+01 -0.157517D+02  0.702488D+01  0.125619D+02  0.228084D+02
      6  -0.106455D+01  0.525499D+01  0.291313D+01 -0.725719D+01 -0.105793D+02
                61            62            63            64            65 
      1   0.744580D+01  0.878113D+01 -0.127197D+02 -0.437068D+02  0.112961D+02
      2  -0.464653D+00 -0.469116D+01  0.306334D+01  0.288922D+02 -0.518967D+01
      3  -0.698115D+01 -0.408997D+01  0.965632D+01  0.148146D+02 -0.610646D+01
      4   0.294394D+01  0.148374D+02  0.342236D+02  0.139789D+02  0.271192D+02
      5  -0.317617D+02  0.303839D+02 -0.894615D+01  0.282347D+02 -0.683177D+01
      6   0.141307D+02 -0.122025D+02 -0.856539D+00  0.589205D+01 -0.247681D+00
                66            67            68            69            70 
      1   0.304504D+02  0.504383D+02  0.447852D+02 -0.126807D+02  0.291784D+02
      2  -0.149667D+02 -0.208246D+02 -0.191068D+02  0.330335D+01 -0.143498D+02
      3  -0.154837D+02 -0.296138D+02 -0.256784D+02  0.937737D+01 -0.148286D+02
      4  -0.481135D+01  0.475946D+02  0.808866D+01 -0.151368D+02 -0.840678D+01
      5   0.163223D+02 -0.181643D+02 -0.173402D+02 -0.296668D+02  0.306988D+02
      6   0.658894D+01 -0.366796D+01 -0.212274D+01 -0.690590D+01  0.162954D+01
                71            72            73            74            75 
      1  -0.782133D+01  0.399484D+02  0.498909D+02 -0.137591D+02 -0.308312D+02
      2  -0.365430D+01 -0.199684D+02 -0.296193D+02  0.403331D+01  0.142985D+02
      3   0.114756D+02 -0.199800D+02 -0.202717D+02  0.972576D+01  0.165327D+02
      4  -0.177590D+02 -0.279906D+02 -0.191176D+02 -0.385446D+02  0.134292D+02
      5  -0.302860D+02  0.209967D+02 -0.274308D+02  0.149121D+02 -0.260199D+02
      6  -0.554786D+01  0.799299D+01  0.246635D+01  0.689865D+01 -0.972013D+00
                76            77            78            79            80 
      1  -0.271763D+02 -0.481741D+02  0.215665D+02 -0.333925D+02  0.183985D+02
      2   0.696270D+01  0.245101D+02 -0.206335D+01  0.145779D+02 -0.105197D+01
      3   0.202136D+02  0.236640D+02 -0.195031D+02  0.188146D+02 -0.173465D+02
      4  -0.624401D+02 -0.255598D+02  0.342513D+02  0.164142D+02  0.294225D+02
      5   0.216593D+02  0.373743D+02  0.403604D+02 -0.439891D+02  0.407783D+02
      6   0.117350D+02  0.509480D+01 -0.698835D+01  0.348736D+00 -0.618284D+01
                81            82            83            84            85 
      1  -0.405017D+02  0.526026D+02 -0.981665D+01 -0.137278D+02 -0.136145D+02
      2   0.251309D+02 -0.348782D+02 -0.821987D+01  0.165205D+02 -0.114867D+02
      3   0.153707D+02 -0.177244D+02  0.180365D+02 -0.279272D+01  0.251011D+02
      4   0.393660D+02 -0.597722D+01 -0.303179D+02  0.197128D+01 -0.378937D+02
      5  -0.164007D+00 -0.105561D+02  0.457405D+01 -0.175940D+02  0.869419D+01
      6  -0.649160D+01 -0.594361D+01 -0.115590D+00 -0.572902D+01  0.123957D+01
                86            87            88            89            90 
      1  -0.237414D+02 -0.104813D+01 -0.141195D+02 -0.206165D+01 -0.242182D+02
      2  -0.875932D+01 -0.751446D+00  0.183780D+02  0.544977D+01  0.289581D+02
      3   0.325007D+02  0.179958D+01 -0.425848D+01 -0.338812D+01 -0.473987D+01
      4  -0.394970D+02  0.156489D+02  0.408361D+01  0.266707D+02  0.148952D+02
      5   0.123794D+02  0.260514D+02 -0.252681D+02  0.221628D+02 -0.292212D+02
      6   0.645112D+01  0.105840D+02 -0.386925D+01  0.918633D+01 -0.313821D+01
                91            92            93            94            95 
      1   0.141283D+02 -0.471305D+01  0.176783D+00 -0.159332D+02 -0.197737D+02
      2  -0.114816D+02 -0.341785D+01 -0.285067D+01  0.295654D+01  0.414908D+01
      3  -0.264672D+01  0.813090D+01  0.267389D+01  0.129766D+02  0.156247D+02
      4  -0.207130D+02 -0.201483D+02 -0.543693D+01 -0.469754D+02  0.548348D+01
      5  -0.145369D+01 -0.449794D+01 -0.760208D+01 -0.481398D+01 -0.115763D+02
      6  -0.244541D+01 -0.941816D+00 -0.291257D+01 -0.370515D+01 -0.319659D+01
                96            97            98            99           100 
      1  -0.171876D+01 -0.119238D+02 -0.335262D+01 -0.241693D+01 -0.180699D+01
      2   0.102792D+01 -0.453807D+01 -0.637972D+00  0.120852D+02  0.297450D+01
      3   0.690839D+00  0.164619D+02  0.399059D+01 -0.966826D+01 -0.116752D+01
      4  -0.119092D+02 -0.104812D+02 -0.237341D+02  0.520784D+00  0.559233D+01
      5   0.152828D+00 -0.121790D+02  0.199969D+01  0.377379D+02 -0.173289D+02
      6   0.803353D+00 -0.239680D+01  0.201295D+01  0.337673D+01  0.488501D+01
               101           102           103           104           105 
      1   0.178890D+01 -0.847185D+01  0.913808D+01  0.800640D+01  0.439952D+01
      2  -0.668880D+00  0.883929D+01 -0.737035D+01 -0.462255D+01 -0.778933D+01
      3  -0.112002D+01 -0.367440D+00 -0.176774D+01 -0.338385D+01  0.338980D+01
      4   0.400328D+01  0.459751D+01  0.427973D+01 -0.150000D+02  0.116073D+02
      5   0.401046D+01 -0.588095D+01  0.136368D+01  0.110785D+02  0.102060D+02
      6  -0.346256D+01  0.585138D+01  0.386353D+01 -0.101731D+02 -0.800294D+01
               106           107           108           109           110 
      1  -0.245112D+02  0.503029D+01 -0.858981D+01  0.382350D+02 -0.535806D+01
      2   0.179573D+02 -0.534378D+01  0.115168D+02 -0.252189D+02  0.165504D+01
      3   0.655389D+01  0.313489D+00 -0.292700D+01 -0.130161D+02  0.370302D+01
      4   0.111997D+02  0.146693D+01  0.118512D+02 -0.132734D+02  0.140339D+02
      5  -0.238437D+02  0.975663D+01 -0.393294D+02  0.360239D+02 -0.407554D+01
      6   0.979753D+01 -0.126303D+02  0.139447D+02 -0.970074D+01  0.262826D+01
               111           112           113           114           115 
      1   0.264088D+02 -0.287402D+01  0.189274D+01  0.125339D+01  0.387655D+02
      2  -0.190683D+02 -0.115634D+01  0.191029D+01 -0.311795D+00 -0.256275D+02
      3  -0.734048D+01  0.403036D+01 -0.380303D+01 -0.941592D+00 -0.131381D+02
      4  -0.791378D+01  0.157415D+02 -0.548245D+01  0.134480D+02 -0.172859D+02
      5   0.267230D+02 -0.664524D+01  0.133290D+02 -0.979894D+01  0.440014D+02
      6  -0.620783D+01  0.500224D+01 -0.681352D+01  0.132440D+02 -0.111697D+02
               116           117           118           119           120 
      1  -0.464953D+00  0.983444D+01  0.830724D+00 -0.120375D+02 -0.978643D+01
      2  -0.246822D+01 -0.306258D+02 -0.963988D+00  0.143991D+02  0.418615D+01
      3   0.293317D+01  0.207913D+02  0.133264D+00 -0.236162D+01  0.560028D+01
      4   0.244923D+02 -0.123030D+02 -0.199007D+01 -0.428050D+01  0.722607D+01
      5  -0.108180D+02  0.734970D+02 -0.911953D+01  0.255151D+01  0.430482D+01
      6   0.130820D+02 -0.279086D+02  0.513233D+01 -0.358513D+00 -0.364376D+00
               121           122           123           124           125 
      1  -0.562077D+01 -0.973087D+01 -0.492428D+01 -0.107518D+02 -0.718340D+01
      2   0.111821D+02 -0.931047D+00  0.108797D+02 -0.281916D+00  0.204235D+02
      3  -0.556131D+01  0.106619D+02 -0.595545D+01  0.110337D+02 -0.132401D+02
      4  -0.262091D+01  0.226113D+02 -0.192246D+02  0.186170D+02 -0.369057D+02
      5   0.729727D+01 -0.191600D+02 -0.516416D+01  0.100212D+02 -0.135007D+02
      6  -0.471486D+01  0.185437D+02  0.101945D+02 -0.397351D+01  0.156416D+02
               126           127           128           129           130 
      1  -0.502557D+01  0.792128D+00  0.164765D+01 -0.373908D+01 -0.939376D+00
      2  -0.927120D+00 -0.664951D+01 -0.825118D+00 -0.592548D+01  0.154690D+01
      3   0.595269D+01  0.585738D+01 -0.822527D+00  0.966457D+01 -0.607521D+00
      4  -0.115596D+02 -0.586046D+01  0.408651D+01 -0.519761D+01  0.136413D+01
      5  -0.226870D+02  0.169565D+02 -0.284578D+01  0.171930D+02 -0.305713D+01
      6   0.170909D+02 -0.634921D+01  0.398287D+01 -0.690451D+01  0.204718D+01
               131           132           133           134           135 
      1  -0.182696D+01  0.194510D+01 -0.539961D+01  0.444918D+01 -0.207408D+02
      2  -0.374382D+00  0.102380D+01 -0.728374D+01 -0.658469D+00 -0.119867D+02
      3   0.220134D+01 -0.296889D+01  0.126834D+02 -0.379071D+01  0.327275D+02
      4  -0.190182D+01  0.252076D+01 -0.442255D+01  0.432961D+01 -0.668254D+01
      5   0.257877D+01 -0.399111D+01  0.179569D+02 -0.356503D+01  0.260796D+02
      6  -0.162450D+01  0.383001D+01 -0.708293D+01  0.768160D+01 -0.145567D+02
               136           137           138           139           140 
      1  -0.259471D+01 -0.246359D+00  0.563992D+01 -0.477857D+00 -0.179814D+01
      2  -0.566382D+01  0.159475D+00  0.586726D+01  0.386429D-01 -0.631842D+00
      3   0.825853D+01  0.868842D-01 -0.115072D+02  0.439215D+00  0.242998D+01
      4   0.274728D+01  0.221101D+01 -0.264724D+01  0.455975D+00 -0.513197D-01
      5  -0.115883D+02 -0.711924D+00  0.144673D+02  0.187336D-01 -0.160145D+01
      6  -0.293391D+01 -0.230571D+01  0.299211D+01 -0.653732D+00 -0.520587D+00
               141           142           143           144           145 
      1   0.933165D+00  0.829875D+01  0.274234D+01 -0.320323D+02  0.335140D+01
      2   0.159173D+00  0.642783D+01 -0.720694D+00 -0.163959D+02 -0.527543D+01
      3  -0.109234D+01 -0.147266D+02 -0.202165D+01  0.484282D+02  0.192403D+01
      4  -0.111592D+01 -0.289405D+01 -0.284818D+01  0.405397D+01  0.231331D+00
      5  -0.134300D+00  0.139143D+02  0.145841D+01 -0.229916D+02  0.113991D+02
      6   0.292604D+01  0.449204D+01  0.702116D+01 -0.121360D+02  0.153646D+01
               146           147           148           149           150 
      1  -0.717094D+00 -0.155908D+01 -0.888278D+00 -0.545543D+00  0.149400D+01
      2   0.695258D+00 -0.405762D+01  0.627148D+00 -0.730685D+00  0.687438D+00
      3   0.218362D-01  0.561670D+01  0.261130D+00  0.127623D+01 -0.218144D+01
      4   0.306912D+01  0.721867D+00  0.153421D+01 -0.122708D+01  0.804211D+00
      5  -0.108021D+01  0.103633D+02 -0.150895D+01  0.227163D+01 -0.212405D+01
      6   0.161609D+01  0.156483D+01  0.321154D+00 -0.942135D+00  0.106343D+01
               151           152           153           154           155 
      1  -0.394774D+01  0.100693D+01 -0.151820D+02 -0.198013D+00  0.118051D+01
      2  -0.554232D+01  0.964402D+00 -0.917174D+01 -0.507365D+01 -0.970393D+00
      3   0.949006D+01 -0.197133D+01  0.243538D+02  0.527166D+01 -0.210117D+00
      4   0.159078D+01  0.264244D+01  0.110657D+01 -0.170617D+01  0.202780D+01
      5   0.130829D+02 -0.110023D+01  0.176904D+02 -0.984040D+01  0.436253D+00
      6   0.217933D+01  0.421551D+01  0.370284D+01  0.335967D+01 -0.190684D+01
               156           157           158           159           160 
      1   0.244461D+01 -0.102777D+01 -0.187141D+01  0.106158D+01  0.383164D+01
      2   0.494425D+01  0.451388D+00 -0.395689D+00  0.758451D-01  0.675144D+01
      3  -0.738885D+01  0.576387D+00  0.226709D+01 -0.113743D+01 -0.105831D+02
      4   0.221944D+01  0.118092D+01 -0.588247D+00 -0.136469D+01  0.163970D+01
      5   0.120045D+02  0.469748D+00 -0.212061D+01 -0.749872D+00  0.132772D+02
      6  -0.404036D+01 -0.134170D+01  0.182132D+00  0.226776D+01 -0.384258D+01
               161           162           163           164           165 
      1  -0.159661D+01 -0.244527D+02  0.119020D+02 -0.537678D+01 -0.685304D+01
      2   0.101056D+01 -0.132454D+02 -0.406729D+01  0.763099D+00  0.282148D+01
      3   0.586047D+00  0.376980D+02 -0.783467D+01  0.461368D+01  0.403156D+01
      4  -0.263821D+01 -0.287083D+01 -0.125482D+02  0.155750D+02  0.667927D+01
      5  -0.346248D+00 -0.210318D+02 -0.116989D+02  0.516806D+01  0.907517D+01
      6   0.576959D+01  0.105202D+02  0.546788D+01 -0.241213D+01 -0.285384D+01
               166           167           168           169           170 
      1  -0.301553D+01 -0.342260D+01 -0.377369D+01 -0.200664D+02 -0.580133D+01
      2  -0.286532D+01  0.131044D+02  0.606631D+01  0.867023D+01  0.671029D+01
      3   0.588085D+01 -0.968182D+01 -0.229262D+01  0.113962D+02 -0.908957D+00
      4   0.235101D+02 -0.320583D+02 -0.178383D+02  0.145017D+02 -0.243087D+02
      5   0.797850D+01 -0.162834D+02 -0.130661D+02  0.198355D+02 -0.184285D+02
      6  -0.592921D+01  0.130781D+02  0.107977D+02 -0.941462D+01  0.128854D+02
               171           172           173           174           175 
      1   0.110518D+00  0.167926D+02 -0.439928D+01  0.965096D+01  0.112956D+00
      2  -0.900093D+00 -0.837748D+01  0.144172D+00 -0.477626D+01 -0.249869D+01
      3   0.789575D+00 -0.841511D+01  0.425511D+01 -0.487469D+01  0.238573D+01
      4  -0.213745D+02 -0.122146D+02  0.143031D+02 -0.864025D+01  0.144906D+02
      5  -0.210265D+02  0.162229D+02 -0.681464D+01  0.131793D+02 -0.590302D+01
      6   0.124893D+02 -0.540537D+01  0.261111D+01 -0.352765D+01  0.395181D+01
               176           177           178           179           180 
      1   0.162712D+01  0.733492D+00  0.199820D+02  0.517868D+00  0.191181D+01
      2   0.334644D+01 -0.230247D+01 -0.993414D+01 -0.268412D+01 -0.329112D+01
      3  -0.497355D+01  0.156897D+01 -0.100478D+02  0.216625D+01  0.137930D+01
      4  -0.161573D+02  0.950872D+01 -0.135903D+02  0.163581D+02 -0.185406D+02
      5   0.898042D+01 -0.930324D+01  0.185362D+02 -0.162441D+02  0.275849D+02
      6  -0.584244D+01  0.792400D+01 -0.694205D+01  0.936212D+01 -0.106708D+02
               181           182           183           184           185 
      1  -0.107899D+02  0.389019D+01 -0.163280D+02  0.271754D+01 -0.158145D+02
      2   0.289539D+01 -0.200482D+01  0.574614D+01 -0.200888D+01  0.902872D+01
      3   0.789449D+01 -0.188537D+01  0.105819D+02 -0.708663D+00  0.678575D+01
      4  -0.152138D+01 -0.480573D+01  0.819890D+00 -0.288719D+01  0.745983D+01
      5  -0.899605D+01  0.128662D+01 -0.492439D+01  0.107217D+01 -0.594053D+01
      6  -0.496692D+01  0.181014D+01 -0.474976D+01  0.205783D+01 -0.609200D+01
               186           187           188           189           190 
      1   0.894310D+01 -0.259987D+02  0.849434D+01 -0.264982D+02  0.115720D+02
      2  -0.416491D+01  0.103492D+02 -0.181940D+01  0.608192D+00 -0.829180D+01
      3  -0.477819D+01  0.156494D+02 -0.667494D+01  0.258900D+02 -0.328016D+01
      4  -0.567368D+01  0.149776D+00 -0.728451D+01  0.104243D+02 -0.109329D+02
      5   0.134702D+02 -0.288774D+01  0.119850D+02 -0.332261D+02 -0.142957D+02
      6   0.103993D+02 -0.317082D+01  0.813373D+01 -0.142592D+02  0.298219D+01
               191           192           193           194           195 
      1  -0.109495D+02 -0.120398D+02 -0.232184D+02  0.129673D+02  0.636629D+01
      2   0.650677D+01  0.798548D+01  0.146119D+02 -0.795067D+01 -0.942917D+01
      3   0.444268D+01  0.405433D+01  0.860648D+01 -0.501663D+01  0.306288D+01
      4   0.114001D+02  0.627384D+01  0.233590D+02 -0.314934D+02 -0.274722D+02
      5   0.733248D+01  0.166723D+02  0.168300D+02 -0.284708D+02 -0.334985D+02
      6  -0.193670D+01 -0.136563D+01 -0.473205D+01  0.855176D+01  0.870499D+01
               196           197           198           199           200 
      1  -0.243685D+02  0.402235D+01  0.151862D+02  0.498347D+02 -0.114949D+02
      2   0.181896D+02 -0.778387D+01 -0.226344D+02 -0.245453D+02  0.560374D+01
      3   0.617892D+01  0.376152D+01  0.744823D+01 -0.252894D+02  0.589113D+01
      4   0.115653D+02 -0.277203D+02 -0.283228D+02 -0.103897D+02  0.146869D+02
      5   0.340636D+02 -0.296800D+02 -0.533114D+02  0.239080D+02 -0.771493D+01
      6  -0.293821D+01  0.868931D+01  0.809051D+01 -0.616904D+00 -0.659499D+00
               201           202           203           204           205 
      1   0.256987D+02 -0.212720D+02  0.180137D+02 -0.105116D+02  0.562669D+02
      2  -0.119669D+02  0.105229D+02 -0.752717D+01  0.359901D+01 -0.284972D+02
      3  -0.137317D+02  0.107491D+02 -0.104866D+02  0.691257D+01 -0.277697D+02
      4  -0.767283D+01  0.219201D+02 -0.129493D+02  0.796122D+01 -0.122772D+02
      5   0.222140D+02 -0.104329D+02  0.758609D+01 -0.172231D+02  0.340271D+02
      6   0.231260D+00 -0.256567D+00 -0.149883D+01  0.291863D+01 -0.625663D-01
               206           207           208           209           210 
      1  -0.125196D+02  0.296863D+02  0.514260D+02  0.299246D+02 -0.981018D+01
      2   0.499229D+01 -0.172376D+02 -0.225532D+02 -0.124312D+02  0.568254D+01
      3   0.752732D+01 -0.124488D+02 -0.288728D+02 -0.174935D+02  0.412763D+01
      4   0.145235D+02 -0.157076D+02  0.372026D+02  0.329519D+02 -0.104697D+02
      5  -0.161776D+02  0.434074D+02 -0.159059D+02 -0.118892D+02  0.145272D+02
      6   0.257413D+01  0.327229D+00 -0.660273D+01 -0.511445D+01  0.319306D+01
               211           212           213           214           215 
      1   0.577632D+02  0.328842D+02 -0.128751D+02 -0.113440D+02 -0.789879D+01
      2  -0.230946D+02 -0.620210D+01  0.625281D+01  0.722330D+01  0.356426D+01
      3  -0.346685D+02 -0.266821D+02  0.662231D+01  0.412075D+01  0.433453D+01
      4   0.554049D+02  0.650637D+02 -0.194782D+02 -0.130761D+02 -0.163401D+02
      5  -0.228150D+02 -0.207002D+02  0.157966D+02  0.230310D+02  0.101315D+02
      6  -0.100287D+02 -0.123834D+02  0.838635D+01  0.531671D+01  0.763256D+01
               216           217           218           219           220 
      1   0.140242D+02  0.113620D+02 -0.136034D+01  0.128383D+02 -0.694420D+01
      2  -0.860748D+01 -0.101166D+02  0.385702D+01 -0.134059D+02  0.721517D+01
      3  -0.541670D+01 -0.124534D+01 -0.249668D+01  0.567613D+00 -0.270971D+00
      4   0.961126D+01  0.322100D+01  0.887371D+01  0.314842D+01  0.579125D+01
      5  -0.143851D+02  0.197647D+02 -0.121237D+00  0.237503D+02 -0.674438D+01
      6  -0.440147D+01  0.386760D+01  0.210171D+01  0.512649D+01  0.730921D+00
               221           222           223           224           225 
      1   0.388570D+01 -0.286141D+01  0.154253D+02 -0.222324D+01  0.377114D+01
      2  -0.260321D+01  0.713200D+01 -0.160550D+02  0.502251D+01 -0.249978D+02
      3  -0.128250D+01 -0.427059D+01  0.629728D+00 -0.279927D+01  0.212266D+02
      4  -0.103798D+01  0.448920D+01  0.468603D+01  0.754476D+01  0.217381D+01
      5   0.638501D+01 -0.152374D+02  0.249090D+02 -0.166213D+01  0.544946D+02
      6  -0.153204D+01  0.503979D+00  0.572394D+01  0.438347D+01  0.141699D+02
               226           227           228           229           230 
      1  -0.568188D+02  0.132423D+02  0.120473D+02  0.687683D+01 -0.116030D+02
      2   0.315938D+02 -0.117934D+02 -0.678782D+01 -0.568605D+01  0.110903D+02
      3   0.252250D+02 -0.144885D+01 -0.525946D+01 -0.119078D+01  0.512659D+00
      4  -0.153218D+02 -0.340475D+01 -0.122482D+01  0.835521D+00  0.330550D+01
      5  -0.134926D+01 -0.364994D+01 -0.300815D+01 -0.166059D+01 -0.817027D+00
      6   0.346298D+01 -0.500542D+01 -0.493958D+01 -0.398208D+01  0.178254D+01
               231           232           233           234           235 
      1  -0.420415D+01  0.967009D+01 -0.307945D+01 -0.665460D+01  0.130503D+02
      2   0.267596D+01 -0.524541D+01  0.120094D+01  0.516715D+00  0.333958D+01
      3   0.152819D+01 -0.442468D+01  0.187852D+01  0.613788D+01 -0.163899D+02
      4  -0.132433D+01  0.744961D+00 -0.289742D+01 -0.154771D+01  0.282851D+02
      5  -0.236134D+01  0.154503D+01 -0.612165D+00  0.499283D+01  0.210204D+01
      6   0.158658D+01 -0.385276D+01  0.257317D+01  0.321257D+01  0.171252D+01
               236           237           238           239           240 
      1   0.130919D+02 -0.560893D+00  0.131120D+02 -0.232590D+01 -0.120235D+01
      2   0.680497D+01 -0.142381D+01  0.975145D+01  0.404190D+02 -0.112770D+01
      3  -0.198969D+02  0.198470D+01 -0.228634D+02 -0.380931D+02  0.233005D+01
      4   0.343113D+02 -0.618549D-01  0.398960D+02  0.730322D+02 -0.157606D+01
      5   0.222374D+01  0.771286D+01  0.164692D+01  0.169103D+01  0.657135D+01
      6   0.224844D+01  0.381488D+01  0.180432D+01  0.496215D+01  0.684256D+01
               241           242           243           244           245 
      1  -0.458548D+01 -0.553500D+00  0.309794D+01  0.200340D+01  0.106584D+01
      2  -0.152184D+01 -0.646791D+01  0.289964D+00 -0.620200D+01  0.157580D+00
      3   0.610733D+01  0.702141D+01 -0.338791D+01  0.419859D+01 -0.122342D+01
      4  -0.757724D+01 -0.143804D+02  0.767429D+01  0.221017D+01  0.535638D+01
      5   0.801083D+01  0.600080D+01 -0.107263D+01 -0.148329D+02  0.856162D+00
      6   0.414512D+01  0.660360D+01 -0.211545D+01 -0.112807D+01 -0.228709D+00
               246           247           248           249           250 
      1  -0.840954D+01  0.127139D+01  0.142972D+01  0.203357D+00 -0.102478D+02
      2   0.701962D+01  0.360901D+00 -0.165587D+01 -0.130894D+01  0.106515D+02
      3   0.138992D+01 -0.163230D+01  0.226150D+00  0.110558D+01 -0.403700D+00
      4  -0.356493D+00  0.882657D+01 -0.119648D+01 -0.491696D+01 -0.163011D+01
      5   0.139812D+02  0.660676D+00 -0.549300D+01 -0.985057D-01  0.197886D+02
      6   0.995575D+00 -0.134527D+01 -0.575289D+00  0.525230D+01  0.945326D+00
               251           252           253           254           255 
      1   0.443813D+00 -0.402585D+01 -0.912847D+02 -0.996219D+01  0.913768D+01
      2  -0.856093D+00 -0.176559D+02  0.500729D+02  0.157298D+02 -0.644374D+01
      3   0.412280D+00  0.216817D+02  0.412118D+02 -0.576759D+01 -0.269393D+01
      4  -0.807949D+01  0.869667D+00 -0.166888D+02  0.276345D+02  0.354815D+01
      5  -0.556959D+00 -0.465437D+02  0.126676D+02  0.567498D+00  0.945491D+01
      6   0.391463D+01 -0.440223D+01  0.675099D+01  0.121449D+00  0.521808D+01
               256           257           258           259           260 
      1   0.171282D+02  0.354085D+02 -0.568906D+01  0.197672D+02 -0.525632D+01
      2   0.373587D+01 -0.268578D+02  0.119527D+02 -0.580589D+01  0.159355D+02
      3  -0.208640D+02 -0.855066D+01 -0.626361D+01 -0.139613D+02 -0.106792D+02
      4   0.414264D+02  0.814041D+00  0.186165D+02  0.129773D+02  0.259945D+02
      5   0.467053D+01  0.205243D+02 -0.491794D+01  0.118286D+02 -0.810674D+01
      6   0.382865D+01  0.144785D+02 -0.213577D+01  0.514860D+01 -0.402897D+01
               261           262           263           264           265 
      1   0.181908D+02  0.465566D+01 -0.706517D+01  0.587912D+00 -0.418934D+01
      2  -0.668905D+01  0.380737D+01 -0.369568D+01  0.276933D+00 -0.805478D+01
      3  -0.115017D+02 -0.846303D+01  0.107608D+02 -0.864846D+00  0.122441D+02
      4  -0.295646D+01 -0.139424D+02  0.202281D+02 -0.139594D+01  0.234972D+02
      5  -0.302632D+02 -0.436075D+00 -0.225319D+00  0.238268D+01 -0.415736D+00
      6  -0.144907D+02 -0.404139D+00  0.283574D+00 -0.765428D+00  0.647027D+00
               266           267           268           269           270 
      1  -0.104034D+02 -0.870622D-01  0.184393D+01  0.269740D+01 -0.128619D+01
      2   0.388495D+02 -0.232411D+01  0.371869D+01 -0.145547D+02  0.425262D+01
      3  -0.284461D+02  0.241117D+01 -0.556262D+01  0.118573D+02 -0.296643D+01
      4  -0.590964D+02  0.284147D+01 -0.103758D+02  0.247847D+02 -0.727709D+01
      5   0.100529D+01 -0.726993D+01  0.329862D+01 -0.646436D+01  0.267604D+01
      6  -0.123625D+01  0.520103D+01 -0.265909D+01  0.741664D+01 -0.283717D+01
               271           272           273           274           275 
      1   0.629236D+01  0.304372D+01  0.601292D+01 -0.196127D+01 -0.773713D+01
      2  -0.562848D+01 -0.352423D+01 -0.243368D+01 -0.707754D-01  0.562133D+01
      3  -0.663878D+00  0.480510D+00 -0.357924D+01  0.203204D+01  0.211580D+01
      4   0.113627D+01 -0.348988D+01  0.112361D+01 -0.186210D+01  0.135554D+01
      5   0.396991D+01 -0.445354D+00  0.330956D-01  0.719887D+00  0.440746D+01
      6   0.203410D+01 -0.107252D+01 -0.152211D+01  0.107841D+00  0.261640D+01
               276           277           278           279           280 
      1  -0.251188D+01  0.119256D+02 -0.305982D+01 -0.130949D+02  0.134613D+03
      2   0.169105D+01 -0.560307D+01  0.347193D+01 -0.308544D+01 -0.639764D+02
      3   0.820825D+00 -0.632256D+01 -0.412112D+00  0.161803D+02 -0.706366D+02
      4   0.427417D+01  0.892457D+01  0.123329D+02  0.860207D+01  0.498140D+02
      5   0.548761D+01  0.750926D+01  0.101104D+02  0.423028D+02 -0.552949D+01
      6   0.673271D+01  0.191836D+01  0.942577D+01  0.233449D+02 -0.243989D+01
               281           282           283           284           285 
      1   0.124817D+02 -0.566640D+01 -0.684062D+01  0.775427D+01  0.958779D+00
      2  -0.146723D+01  0.314000D+01  0.657277D+01 -0.144480D+01 -0.178599D+01
      3  -0.110145D+02  0.252640D+01  0.267850D+00 -0.630947D+01  0.827210D+00
      4   0.204603D+02 -0.110208D+01  0.121349D+02  0.420149D+01 -0.244633D+01
      5  -0.125244D+00  0.129060D+02 -0.597417D-01 -0.276756D+01 -0.486809D-01
      6   0.288241D+00  0.378957D+01 -0.971401D-01 -0.128900D+01  0.842861D+00
               286           287           288           289           290 
      1  -0.129168D+02 -0.566385D+00  0.976580D+01  0.686904D+00  0.141788D+02
      2   0.634361D+01 -0.171026D+01 -0.607233D+01  0.253451D+01 -0.148089D+02
      3   0.657322D+01  0.227665D+01 -0.369347D+01 -0.322141D+01  0.630038D+00
      4  -0.607106D+01 -0.517179D+01  0.467724D+01  0.379516D+01 -0.763487D+01
      5   0.159260D+02  0.271285D+01 -0.646762D+00 -0.349834D+01  0.160200D+01
      6   0.423201D+01  0.208910D+01  0.526175D+00 -0.266741D+01  0.206299D+01
               291           292           293           294           295 
      1  -0.525298D+01  0.927381D+01 -0.312368D+02  0.713833D+01 -0.807527D+01
      2   0.389102D+01 -0.470938D+01  0.487876D+02 -0.102832D+02  0.300961D+01
      3   0.136196D+01 -0.456443D+01 -0.175508D+02  0.314485D+01  0.506566D+01
      4  -0.449667D+00  0.726761D+01  0.453544D+02 -0.108754D+02 -0.638008D+01
      5  -0.281533D+01 -0.606535D+00 -0.133189D+02  0.951772D+01  0.903204D+00
      6  -0.303889D+01 -0.365722D+00 -0.108705D+02  0.894642D+01 -0.230115D+00
               296           297 
      1   0.922610D+01 -0.912136D+01
      2  -0.144092D+02  0.792141D+01
      3   0.518308D+01  0.119995D+01
      4  -0.193451D+02  0.899102D+01
      5   0.111973D+02 -0.577467D+01
      6   0.109527D+02 -0.630159D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170629D+03      0.252846D+02      0.281330D+02
   aniso      0.762509D+02      0.112992D+02      0.125721D+02
   xx         0.220220D+03      0.326332D+02      0.363093D+02
   yx        -0.336168D+00     -0.498150D-01     -0.554266D-01
   yy         0.136181D+03      0.201800D+02      0.224532D+02
   zx         0.599954D+00      0.889040D-01      0.989190D-01
   zy        -0.927704D-01     -0.137472D-01     -0.152958D-01
   zz         0.155487D+03      0.230408D+02      0.256363D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170629D+03      0.252846D+02      0.281330D+02
   aniso      0.762509D+02      0.112992D+02      0.125721D+02
   xx         0.192674D+03      0.285514D+02      0.317677D+02
   yx        -0.161277D+00     -0.238988D-01     -0.265910D-01
   yy         0.136180D+03      0.201798D+02      0.224531D+02
   zx         0.320112D+02      0.474356D+01      0.527793D+01
   zy        -0.177281D+00     -0.262704D-01     -0.292298D-01
   zz         0.183033D+03      0.271227D+02      0.301781D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-15\Freq\RM11\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.859135,-0.79744
 5,1.307905\C,1.475419,-0.773087,0.059735\C,-0.519198,-0.667837,1.43071
 5\C,-1.322882,-0.517669,0.305982\C,-0.712213,-0.493664,-0.948233\C,0.6
 63373,-0.61923,-1.065423\C,2.970409,-0.867475,-0.082211\C,3.653427,0.4
 77889,-0.39778\C,5.142776,0.265827,-0.664323\C,3.434072,1.499169,0.716
 682\C,-2.832871,-0.408434,0.441812\C,-3.28862,0.891062,-0.193882\O,-3.
 674162,1.023041,-1.326622\O,-3.185052,1.931949,0.663544\H,1.465467,-0.
 914551,2.198032\H,-0.973985,-0.684881,2.413842\H,-1.317893,-0.368693,-
 1.836932\H,1.116639,-0.598906,-2.049722\H,3.214767,-1.57491,-0.87979\H
 ,3.401771,-1.271409,0.838508\H,3.194988,0.870891,-1.312084\H,5.304831,
 -0.437524,-1.483935\H,5.641346,-0.134788,0.222807\H,5.634047,1.20549,-
 0.924389\H,3.868992,1.14405,1.655622\H,2.373464,1.684234,0.88879\H,3.9
 08029,2.451247,0.470321\H,-3.064982,-0.34364,1.50555\C,-3.561082,-1.60
 3695,-0.175784\H,-3.441613,2.729075,0.173539\H,-3.37217,-1.659027,-1.2
 46468\H,-4.638896,-1.523016,-0.02823\H,-3.211554,-2.526025,0.287996\\V
 ersion=ES64L-G16RevA.03\State=1-A\HF=-657.0243949\RMSD=3.320e-09\RMSF=
 8.212e-06\ZeroPoint=0.2841235\Thermal=0.2998215\Dipole=0.4035307,-0.00
 19666,0.4777434\DipoleDeriv=-0.1484159,-0.026234,0.0716913,-0.0129619,
 -0.1085145,-0.0069548,0.1232563,-0.0169735,0.0442635,0.3415178,0.04561
 69,-0.037999,-0.0064581,-0.0973671,0.0124126,-0.0672727,0.0081317,-0.0
 634555,-0.0604696,0.0028207,-0.0580472,0.0109448,-0.1114543,-0.002284,
 -0.0197395,-0.0206663,0.091126,0.3022891,-0.0954589,0.0449499,0.005644
 4,-0.1335451,0.0150136,-0.0515067,0.0267952,-0.0817889,-0.095609,0.002
 114,0.0311894,-0.0009257,-0.1115213,-0.0169195,0.0639678,-0.0165491,0.
 0094274,-0.1279205,-0.02247,-0.0375519,-0.0104085,-0.110709,-0.0167675
 ,-0.0941146,0.0007972,0.0883023,0.0341973,-0.0379286,0.0471329,-0.1649
 036,0.0868655,0.0156507,0.0985273,-0.0089892,0.141,0.1192779,0.0151562
 ,-0.0266924,0.1670602,0.1227484,0.0160507,-0.0514828,0.0272361,0.11188
 78,-0.0018092,0.0068921,0.0257718,-0.0906614,0.0843007,-0.009759,0.044
 1695,-0.0224396,0.1186169,0.0193504,0.0206335,0.0594536,-0.0270162,0.0
 212906,-0.0821136,0.0601245,-0.0557385,0.0652334,-0.0272577,0.1535401,
 -0.0789502,0.063811,0.0040473,0.0554323,-0.1460887,0.0730939,0.0791825
 ,0.4762197,-0.1958682,0.3409697,-0.5556468,1.3821126,0.2722787,0.51624
 45,0.2878132,1.2919292,-0.525907,0.0513003,-0.2568345,0.2561322,-0.659
 183,0.1386257,-0.3823346,-0.0641233,-0.9481196,-0.3772416,0.0294008,-0
 .0064622,0.1586422,-1.0050788,-0.5074918,0.0092797,-0.3854044,-0.61724
 56,-0.0142904,0.027305,-0.0913706,0.0217993,0.1166605,0.010429,-0.0862
 872,0.0120436,-0.0305014,0.0137486,-0.0028881,0.084961,0.0101914,0.112
 6385,0.0025121,0.0774943,0.0088198,-0.0546417,0.0369387,0.0005851,-0.0
 641234,0.0139975,0.11653,0.0141588,-0.0754673,0.0128701,0.003112,0.019
 6857,0.0129668,0.0767636,0.0134044,0.11056,0.0077258,0.0876952,0.00666
 46,-0.0570758,-0.0473808,0.0126629,0.0168045,0.042485,-0.048886,-0.078
 1911,0.0573428,-0.1129482,-0.0478857,-0.0419024,0.0203197,-0.0354521,0
 .0181729,0.0221961,0.0334951,-0.0919919,0.0859866,-0.0853195,-0.032773
 1,0.0336689,-0.0722788,0.0237648,-0.0178947,0.0235465,-0.06786,0.03403
 19,-0.1087941,0.0268148,0.0087857,0.0043073,0.0629553,-0.0367407,-0.11
 99092,0.0517188,-0.10923,-0.0645122,-0.0096457,0.0179404,-0.0193449,0.
 058491,0.0311008,0.0562855,-0.1098175,0.0717022,-0.0921145,-0.0693697,
 -0.0601175,0.0282805,-0.1268414,-0.1068738,0.0555025,0.0400031,0.03682
 22,0.0536291,0.0275277,0.0218072,-0.0712358,0.0572412,0.0111703,0.0879
 344,-0.0643518,0.0163404,-0.0968836,-0.1219373,0.0591963,0.0442143,0.0
 819333,0.0684437,-0.0129354,0.0381978,-0.0189405,0.0157035,-0.0029539,
 -0.1130852,0.0077254,-0.1121412,-0.1245969,0.0085451,0.0308788,0.04863
 12,0.0402676,0.031547,-0.0153102,-0.0093256,0.0010321,0.0077788,-0.015
 1802,0.0408812,-0.0190248,-0.0892678,0.0114031,-0.0065959,-0.0201342,0
 .05577,0.0578055,-0.0438138,0.0151032,-0.0014569,0.0442108,0.327385,0.
 0119942,-0.0312891,-0.0204326,0.3001204,0.0427655,-0.0586286,0.0830813
 ,0.2105371,0.0616209,-0.0123055,0.0575698,-0.0154996,0.0566606,0.01845
 1,0.0235334,-0.0375846,-0.0670014,-0.2049201,-0.0282511,0.0167632,-0.0
 125225,0.0475448,-0.0188357,0.0108008,-0.019446,0.0672398,0.0602803,0.
 0618067,-0.0414565,0.0329467,-0.0882095,0.0443399,-0.0222753,0.0686537
 ,0.0289385\Polar=206.9674584,-0.4633576,126.8840291,0.2014318,-0.05060
 65,145.1428146\Quadrupole=-0.4392525,1.24101,-0.8017574,-0.3722748,-4.
 8781259,-0.159768\PG=C01 [X(C13H18O2)]\NImag=0\\0.68856233,-0.05473808
 ,0.14172080,0.03023742,-0.04144920,0.70200718,-0.16236119,0.00088822,0
 .10827174,0.63701789,0.00591018,-0.06775335,0.00489555,-0.03587365,0.1
 8718576,0.04163153,0.01150912,-0.28252760,-0.00728073,-0.03279789,0.66
 310073,-0.32796098,0.02692812,-0.01458441,-0.01858553,-0.00316694,0.08
 236406,0.67657287,0.02356600,-0.06285658,0.00575354,-0.00017563,0.0071
 5911,-0.00919378,-0.05162531,0.13909384,0.05072158,-0.00068750,-0.1300
 4278,0.03505264,-0.00407157,0.02397596,-0.03289054,-0.03401951,0.71674
 831,-0.03718402,0.00595476,-0.02336801,0.00311282,-0.00048882,-0.00570
 487,-0.18555732,0.01974328,-0.12526200,0.61452758,0.00942979,0.0058108
 2,-0.00026560,-0.00069947,-0.00677730,0.00482496,0.01494717,-0.0684168
 8,0.02404421,-0.04203654,0.18136892,-0.07272648,0.00508811,0.04180418,
 -0.00691915,0.00541446,-0.07124057,-0.05707068,0.01775666,-0.25643414,
 0.01055730,-0.03217101,0.66436967,-0.04540351,0.00226344,0.02995445,-0
 .03788249,0.00960683,-0.07091940,0.06049397,-0.00593266,0.01261327,-0.
 15629310,0.00546798,0.03746602,0.69671004,0.00184545,-0.00717505,-0.00
 197470,0.00570422,0.00615053,0.00464268,-0.00295403,0.01108994,0.00316
 785,0.00152933,-0.06914709,0.01081926,-0.05750648,0.14457296,0.0318058
 7,-0.00232380,-0.02299019,-0.02375125,-0.00108697,0.04406431,-0.033108
 12,0.00818269,-0.06047942,0.09990012,0.00437997,-0.27745980,0.03453654
 ,-0.04241636,0.69707693,0.06103287,-0.00348492,-0.03201415,-0.18398991
 ,0.01332963,-0.05192723,-0.05462575,0.00637405,-0.02525302,-0.02119319
 ,-0.00238600,0.08287345,-0.33796846,0.02776780,-0.01463007,0.68463733,
 -0.00644136,0.01083821,0.00818933,0.01824187,-0.07178188,0.01620136,0.
 00674772,-0.00820768,0.00317775,0.00096391,0.00784322,-0.00999294,0.02
 289818,-0.06210125,0.00657351,-0.04985827,0.14082444,0.01176319,0.0032
 1103,-0.06001482,-0.11558482,0.02258127,-0.24819604,-0.02453456,0.0029
 7839,-0.01317857,0.03431073,-0.00406124,0.02408061,0.05056186,-0.00021
 491,-0.12962502,-0.03679533,-0.03357940,0.70591695,-0.01821572,0.00324
 844,0.00805683,-0.19853541,0.01065252,0.01067307,0.00197460,0.00073411
 ,0.00017342,-0.00120495,0.00009044,0.00094066,0.00308475,0.00074369,-0
 .00228485,-0.02652710,0.00393461,-0.00457854,0.48539953,0.00003273,0.0
 0539922,0.00013389,0.01863180,-0.07457069,-0.00067961,0.00127082,0.007
 83709,0.00046851,-0.00056947,-0.00094621,0.00002175,0.00112333,0.00567
 185,0.00119837,0.00409954,0.00318753,-0.00067119,-0.05110883,0.4653536
 5,0.03057732,-0.00147257,-0.00011146,0.00609449,0.00041150,-0.09170780
 ,0.00167796,0.00137507,-0.00404447,0.00064298,-0.00004598,-0.00181503,
 -0.00396116,0.00042728,-0.00430621,-0.02627124,0.00117966,0.00747364,0
 .02182656,0.02236653,0.59423267,-0.00034448,-0.00003767,-0.00210773,-0
 .02239703,-0.02781368,0.00878509,-0.00109885,0.00141125,0.00000068,0.0
 0012166,-0.00022017,0.00079207,0.00048416,0.00082437,-0.00006639,-0.00
 025438,-0.00020160,0.00154047,-0.08473061,-0.03117864,0.00539606,0.485
 93414,0.00277981,-0.00176318,-0.00146810,-0.01263084,0.00689647,0.0002
 8024,-0.00012206,-0.00072102,-0.00026555,0.00055545,0.00009477,-0.0003
 5234,-0.00051741,-0.00037277,0.00049449,0.00304748,-0.00077922,0.00063
 587,-0.01975115,-0.13816952,0.01705940,-0.02794753,0.46859953,0.000714
 32,-0.00069892,-0.00014899,0.00521202,0.00182261,-0.00261720,-0.000044
 77,-0.00051039,-0.00044118,-0.00027898,-0.00002050,0.00055297,0.000688
 66,0.00017073,-0.00053250,-0.00239822,0.00075377,0.00027137,0.00508252
 ,0.01737741,-0.08018340,0.04389856,-0.02972828,0.54854826,-0.00014236,
 -0.00013559,-0.00024236,-0.00030444,-0.00177314,0.00066007,-0.00011037
 ,0.00009795,0.00008317,0.00003460,-0.00002026,0.00005799,-0.00000238,0
 .00006321,-0.00005339,-0.00000533,-0.00004715,0.00024222,-0.02288750,-
 0.00405901,0.00430054,-0.17567855,0.01518306,0.01493423,0.46467559,-0.
 00103474,0.00042297,-0.00024751,-0.00085212,-0.00563559,0.00157256,-0.
 00007018,0.00048155,0.00017739,-0.00016575,-0.00002913,0.00009648,0.00
 005870,0.00029195,-0.00010004,-0.00053538,0.00020202,0.00033921,-0.032
 41538,0.00063619,0.00491481,0.01563475,-0.07879355,-0.00186678,0.01787
 075,0.56890302,0.00041159,-0.00023182,-0.00012970,-0.00030042,0.001062
 48,-0.00003040,-0.00029438,0.00002666,-0.00006605,0.00001774,0.0000172
 7,0.00026211,0.00030481,-0.00024431,-0.00009940,-0.00019736,-0.0002240
 6,-0.00003893,0.01017847,0.00123943,-0.00177111,0.01332211,-0.00169730
 ,-0.08103782,0.01307966,0.00180351,0.56041187,0.00017581,-0.00025200,0
 .00018557,0.00067171,-0.00120168,-0.00086819,-0.00015241,0.00023042,-0
 .00005995,-0.00019574,0.00005260,0.00007941,0.00005560,-0.00001787,-0.
 00001460,-0.00023998,0.00019127,-0.00021230,0.00247976,-0.01037342,-0.
 01146487,-0.08082683,0.00769795,0.00831531,-0.00911229,0.02484302,0.02
 806649,0.57309814,-0.00054780,-0.00063315,-0.00027413,0.00050127,-0.00
 082057,-0.00073713,0.00034684,-0.00032801,0.00003462,0.00002405,0.0000
 6519,-0.00015946,-0.00018457,0.00007300,-0.00004398,0.00028789,0.00007
 665,0.00047149,0.00040883,-0.02815995,-0.02235070,0.01038260,-0.120106
 84,-0.04877427,0.00563795,-0.00567742,-0.00688699,0.01115929,0.5222857
 2,0.00050962,0.00019492,0.00038217,-0.00075625,0.00014031,0.00039242,-
 0.00024021,0.00005175,-0.00017854,0.00005220,-0.00001487,0.00013325,0.
 00016206,-0.00004110,0.00000700,0.00000389,-0.00014774,-0.00030533,-0.
 00300430,0.00078170,0.00504422,0.01081005,-0.05007797,-0.13654584,0.00
 587066,-0.00651157,-0.00741234,0.00466435,-0.05044028,0.50277064,0.001
 09735,-0.00000677,-0.00232738,-0.00098912,0.00024991,-0.00079554,-0.02
 726487,0.00366782,-0.00061630,-0.17258506,0.01559322,0.00331487,-0.020
 27114,0.00195746,0.00851669,0.00322904,-0.00090644,0.00178949,0.000152
 24,0.00005349,-0.00000866,-0.00003611,-0.00002050,0.00002334,-0.000010
 23,-0.00001120,0.00000671,-0.00002858,-0.00000119,0.00000124,0.4326084
 4,0.00089852,0.00773297,0.00186295,0.00003633,-0.00102069,0.00011801,0
 .00651955,0.00341935,-0.00059220,0.00457743,-0.06764040,0.00272193,0.0
 0165874,0.00145363,-0.00071538,0.00002801,0.00590000,-0.00041381,-0.00
 034391,-0.00095745,-0.00009093,-0.00007567,0.00010770,0.00005046,-0.00
 000699,-0.00005095,0.00002773,0.00000536,0.00002049,0.00000155,0.00062
 746,0.45504722,-0.00209345,0.00093606,-0.00339311,-0.00060263,0.000132
 11,-0.00125234,-0.02471304,0.00131465,0.00553050,0.01819615,-0.0000126
 4,-0.08746212,0.02948461,-0.00217669,0.00247485,0.00179557,0.00033116,
 -0.00547627,0.00006310,-0.00021146,0.00017851,-0.00007767,0.00017747,-
 0.00007103,-0.00000414,-0.00009841,0.00002232,-0.00000389,-0.00003752,
 0.00002692,-0.02116747,0.01644817,0.60327366,-0.00018033,-0.00131810,-
 0.00107728,-0.00019424,0.00007104,0.00053897,-0.00366263,0.00025434,0.
 00113677,-0.02226625,0.03021146,-0.01709371,0.00022481,0.00014314,0.00
 118780,-0.00059732,-0.00044803,-0.00093068,-0.00002967,0.00018463,-0.0
 0000839,0.00001594,-0.00011185,0.00002569,-0.00000639,0.00005674,-0.00
 000647,-0.00005865,0.00002714,-0.00001001,-0.08676662,0.02101088,-0.00
 275106,0.31808056,-0.00124913,-0.00088513,-0.00057655,-0.00019713,0.00
 038564,-0.00051749,-0.00453725,0.00002377,0.00155807,0.02127092,-0.001
 20234,-0.00341229,-0.00299952,0.00036605,0.00087853,-0.00019319,-0.000
 65867,0.00036157,0.00024767,-0.00026327,0.00020398,-0.00005594,0.00066
 242,-0.00008378,-0.00002071,-0.00034130,-0.00003199,-0.00019146,-0.000
 15473,0.00009736,0.01496563,-0.14806446,0.03685507,-0.07224246,0.57132
 509,-0.00064558,0.00018421,-0.00004755,-0.00010476,-0.00032833,-0.0001
 7734,0.00148922,-0.00068847,-0.00132030,-0.01108680,-0.00498403,0.0023
 6593,0.00357803,-0.00021306,0.00343232,0.00041684,0.00072108,-0.001592
 00,-0.00009284,0.00028216,-0.00034340,0.00019608,-0.00020923,0.0002473
 6,-0.00001094,0.00010636,-0.00004076,-0.00012077,0.00000316,-0.0000506
 8,0.00364619,0.02586902,-0.09148899,0.21686310,-0.05507125,0.87819896,
 -0.00015515,0.00012859,0.00024322,-0.00003191,-0.00005671,-0.00020560,
 0.00041083,0.00003193,-0.00024922,0.00221866,-0.00247247,0.00251878,-0
 .00067859,0.00083320,0.00041797,0.00020362,0.00010596,-0.00022468,0.00
 005661,-0.00010047,-0.00001485,-0.00001008,0.00009554,-0.00001753,0.00
 000497,-0.00005387,-0.00000136,0.00003065,-0.00002050,0.00001410,0.012
 20201,0.00478467,-0.02469592,-0.14589811,0.03673800,-0.19397155,0.1157
 3006,0.00025850,0.00039276,0.00009674,0.00006958,-0.00010581,-0.000034
 13,0.00172252,-0.00004044,-0.00050349,-0.00236717,-0.00146794,0.002388
 43,0.00060674,0.00018952,0.00002613,0.00034859,0.00010894,0.00018908,-
 0.00008528,0.00010671,-0.00009375,0.00003757,-0.00025778,0.00006460,0.
 00000519,0.00012733,0.00000530,0.00004625,0.00005518,-0.00003803,0.010
 53779,0.00370503,0.03117614,0.03262547,-0.13031997,0.07483484,-0.03191
 578,0.11039997,0.00025763,-0.00051540,-0.00002153,0.00019817,0.0001875
 2,0.00020219,-0.00214941,0.00081784,0.00104595,0.00561635,0.00273139,-
 0.00348865,-0.00051290,-0.00057509,-0.00254302,-0.00067548,-0.00053694
 ,0.00092807,0.00005610,-0.00009398,0.00028803,-0.00010457,0.00018961,-
 0.00018253,0.00000787,-0.00009157,0.00002334,0.00007050,-0.00001965,0.
 00004042,-0.02010975,0.01110049,-0.02639670,-0.19586810,0.08856931,-0.
 64133702,0.24290388,-0.05950169,0.75315203,0.00014660,0.00011990,0.000
 19837,0.00008061,-0.00002911,-0.00006618,0.00039594,0.00016291,0.00016
 993,0.00023441,-0.00046732,0.00103400,0.00012494,0.00018099,-0.0008456
 1,0.00018189,0.00008633,0.00013749,0.00002564,-0.00008566,0.00004145,-
 0.00002854,0.00001021,-0.00003340,0.00001002,-0.00000726,0.00001125,0.
 00008937,-0.00000144,-0.00000291,0.01009833,0.01131269,0.00309925,-0.0
 7057882,0.00717813,-0.01754432,0.02358806,-0.01611215,-0.02685013,0.08
 803892,0.00058290,0.00038655,0.00009985,0.00005925,-0.00014267,0.00012
 413,0.00104446,-0.00000862,-0.00073660,-0.00479295,-0.00265950,0.00085
 926,0.00081114,-0.00010899,-0.00063329,0.00032060,0.00042575,0.0003519
 3,-0.00011597,0.00014863,-0.00007033,0.00000584,-0.00037807,0.00000270
 ,0.00001702,0.00019194,0.00003011,0.00014596,0.00009457,-0.00004794,0.
 00293834,-0.03902106,-0.02129646,0.00189378,-0.21344206,-0.07173599,-0
 .01271223,0.01369117,-0.04906477,-0.09625263,0.57216012,0.00053537,0.0
 0008179,0.00006168,0.00002148,-0.00003041,0.00027961,0.00002711,0.0000
 7214,-0.00030614,-0.00047593,0.00053671,0.00075982,-0.00001674,-0.0002
 6786,-0.00094093,-0.00022048,0.00005561,0.00040245,-0.00002178,-0.0000
 0395,0.00004869,-0.00004404,-0.00007825,-0.00005645,0.00000554,0.00004
 062,0.00001744,0.00005735,0.00003262,-0.00000082,-0.00039677,0.0061827
 3,0.00798329,-0.02067867,-0.04560971,-0.15330220,-0.02535550,-0.059217
 46,-0.08065712,0.11432017,-0.06506252,0.38848323,-0.14350660,0.0188798
 5,-0.12528808,0.00934396,-0.00116016,0.01094794,-0.01347044,0.00322393
 ,-0.02775759,-0.00484615,0.00107778,0.00204129,-0.00059968,-0.00004320
 ,0.00083363,-0.00022805,0.00037697,0.00307737,0.00119658,-0.00085143,0
 .00117382,-0.00003294,-0.00001029,0.00006847,0.00000155,0.00003663,0.0
 0003136,0.00005163,-0.00005846,0.00006674,-0.00052379,0.00040798,-0.00
 122108,-0.00016584,-0.00069020,0.00026759,-0.00000910,0.00021691,-0.00
 024598,0.00000898,0.00026572,0.00006961,0.15143916,0.01835633,-0.03904
 972,0.02577042,0.00121711,0.00361400,0.00049767,0.00131921,0.00176276,
 0.00245742,0.00125904,0.00719200,0.00023761,-0.00003929,-0.00057472,-0
 .00015532,0.00030135,0.00602247,0.00025174,-0.00085848,-0.00414435,-0.
 00099752,-0.00052735,0.00055117,0.00048043,-0.00002974,-0.00026388,-0.
 00001920,-0.00001954,0.00014995,0.00001755,-0.00010679,0.00017524,0.00
 021646,0.00002362,0.00009116,0.00009295,-0.00003909,-0.00003956,-0.000
 07268,-0.00001750,-0.00006319,-0.00000271,-0.02107989,0.02905261,-0.12
 444541,0.02572533,-0.24301119,-0.01804925,0.00339758,-0.02029527,0.003
 09961,-0.00054505,0.00552847,0.00117521,0.00025452,0.00182549,0.001006
 18,-0.00013713,-0.00001263,0.00383904,0.00033436,-0.00393903,-0.002204
 80,0.00023294,0.00061571,0.00025025,-0.00003618,0.00005379,0.00003909,
 0.00009689,0.00001280,-0.00005751,-0.00012887,-0.00012417,0.00024917,-
 0.00004003,0.00009097,0.00003909,-0.00012107,-0.00001390,-0.00004367,0
 .00005714,-0.00000654,-0.00001395,0.00008544,0.00002296,0.13533350,-0.
 02842710,0.25831573,-0.00870698,-0.00085486,0.03025939,-0.00539487,0.0
 0123265,-0.00080842,-0.10599072,0.00044207,0.10407791,0.00901175,0.000
 51901,-0.01581062,-0.00130441,0.00095295,-0.00330200,-0.00090515,0.000
 08215,-0.00070082,0.00008218,-0.00004521,0.00129968,-0.00013750,0.0002
 4609,0.00000136,-0.00002248,-0.00014310,0.00001387,-0.00002037,-0.0000
 2631,0.00003193,0.00153430,-0.00068749,-0.00172172,-0.00004798,0.00039
 777,-0.00022013,0.00005773,-0.00015082,0.00020218,-0.00000987,-0.00019
 638,-0.00001696,0.00096944,-0.00045257,-0.00044473,0.11096872,0.001005
 88,0.00218682,-0.00281121,0.00142984,0.00721034,0.00029263,0.00065548,
 -0.03533825,0.00530980,-0.00154880,0.00354102,0.00303755,0.00097643,0.
 00572381,0.00092702,0.00013895,-0.00053329,0.00003709,-0.00020449,0.00
 013277,-0.00015811,0.00011275,0.00006158,0.00002330,0.00000457,-0.0000
 0563,0.00001745,-0.00005841,0.00001531,-0.00000501,-0.00034091,-0.0041
 2366,0.00000049,0.00065111,0.00083047,0.00049203,-0.00006214,-0.000328
 17,0.00000156,-0.00014197,-0.00034895,-0.00025581,-0.00049952,-0.00364
 418,-0.00025621,-0.00143997,0.02513566,-0.00045514,0.00013537,0.000772
 16,0.00013864,0.00027188,0.00210989,0.10289927,0.00553059,-0.28360056,
 0.01317731,0.00027433,-0.02057402,-0.00426287,0.00093641,-0.00270619,-
 0.00079861,0.00003237,0.00038676,-0.00023337,0.00003200,-0.00012112,0.
 00001560,-0.00008778,-0.00000474,0.00000041,0.00005289,0.00000074,0.00
 001969,0.00001448,-0.00000945,0.00196296,-0.00056899,0.00036075,-0.000
 07383,0.00002482,-0.00009622,0.00008885,-0.00020738,0.00042956,0.00005
 186,0.00008646,0.00016189,0.00033735,-0.00029618,0.00082059,-0.1123832
 1,-0.00631415,0.30215476,-0.00060853,-0.00005324,0.00089134,-0.0050026
 0,0.00103003,0.00207785,-0.00061949,0.00050381,0.00313666,0.01213603,-
 0.00160597,0.01097594,-0.14480689,0.01945507,-0.12549101,-0.01323298,0
 .00351449,-0.02745104,-0.00013820,0.00016170,-0.00136520,-0.00002355,0
 .00016203,-0.00007272,-0.00001010,-0.00008626,0.00001472,-0.00001608,-
 0.00001227,0.00002949,0.00016019,-0.00035750,-0.00021116,0.00004632,0.
 00048140,0.00172779,-0.00050649,0.00004617,-0.00065042,-0.00016002,-0.
 00042409,-0.00047346,0.00000867,-0.00010996,-0.00010652,0.00044432,-0.
 00003431,0.00079577,0.15215736,0.00003139,-0.00046594,-0.00013176,0.00
 123190,0.00766578,0.00039765,0.00037840,0.00581669,0.00019356,0.000343
 76,0.00352315,0.00070666,0.01974551,-0.04101580,0.02793726,0.00111688,
 0.00261246,0.00211867,-0.00008709,0.00012223,0.00015043,-0.00008164,-0
 .00005664,0.00002925,0.00001987,-0.00000423,-0.00000766,-0.00001211,-0
 .00000719,0.00000191,0.00027524,-0.00317840,-0.00010492,0.00035720,0.0
 0075256,-0.00195262,-0.00018465,-0.00059087,0.00117302,-0.00003572,-0.
 00020358,0.00031572,-0.00009834,-0.00111350,-0.00007248,0.00004068,0.0
 0045922,0.00002204,-0.02180602,0.03029235,0.00092596,-0.00014767,0.000
 11221,0.00135558,0.00039310,0.00158886,0.00381738,0.00033615,-0.003702
 84,-0.01776230,0.00332607,-0.01965740,-0.12476767,0.02717341,-0.245973
 49,0.00320086,-0.00055646,0.00620828,0.00018234,-0.00002123,0.00014828
 ,-0.00002994,0.00002986,-0.00000493,0.00000394,-0.00002116,-0.00000426
 ,-0.00000785,-0.00000234,0.00000276,-0.00109978,-0.00034671,0.00046665
 ,0.00013327,-0.00042215,-0.00205135,-0.00063157,0.00021284,0.00124811,
 0.00020907,0.00035039,0.00045242,-0.00011571,-0.00007231,0.00000192,-0
 .00086337,0.00018323,-0.00102479,0.13554391,-0.03014641,0.26079816,-0.
 00153587,0.00093370,-0.00336065,0.01088199,0.00029742,-0.01607615,-0.0
 0088943,0.00009564,-0.00068428,-0.00530121,0.00124635,-0.00085961,-0.0
 0949020,-0.00099692,0.03046969,-0.10584198,0.00046651,0.10206780,0.000
 75584,-0.00074887,-0.00044125,-0.00010830,-0.00001072,-0.00029840,-0.0
 0000773,0.00000970,0.00006002,0.00006530,-0.00001167,0.00001484,-0.000
 19940,0.00018216,0.00139691,0.00023773,-0.00051051,0.00045150,-0.00005
 317,0.00016189,-0.00031394,-0.00002643,0.00014759,-0.00004743,0.000460
 88,0.00000918,-0.00095472,0.00003564,-0.00010834,0.00009310,0.00108843
 ,-0.00044621,-0.00037342,0.11031285,0.00089398,0.00582910,0.00107783,-
 0.00077498,0.00345387,0.00336120,0.00022481,-0.00042897,0.00004797,0.0
 0129735,0.00765913,0.00024597,0.00102904,0.00262484,-0.00270601,0.0001
 5223,-0.03649463,0.00586168,-0.00120287,-0.00283822,0.00036714,-0.0002
 6568,0.00043560,-0.00041233,-0.00002012,-0.00018542,0.00027981,-0.0000
 0143,-0.00005586,0.00007286,0.00002488,0.00023849,-0.00010410,0.000006
 04,0.00007360,0.00007520,0.00005027,-0.00007054,-0.00000031,-0.0000138
 8,-0.00006993,-0.00001486,-0.00011178,0.00032807,0.00016670,-0.0001267
 2,-0.00113313,-0.00007488,-0.00054043,-0.00402893,-0.00034663,-0.00085
 042,0.02558309,-0.00412273,0.00093903,-0.00256363,0.01307361,0.0002133
 1,-0.02039746,-0.00082674,0.00000701,0.00034529,0.00018838,0.00035626,
 0.00208720,-0.00046036,0.00024277,0.00063817,0.10231400,0.00607859,-0.
 28300503,0.00155285,-0.00053415,0.00067689,-0.00046142,0.00028234,-0.0
 0037255,-0.00004758,-0.00020994,0.00019970,0.00014471,-0.00012014,0.00
 007779,-0.00018234,-0.00000606,-0.00010387,-0.00006112,0.00026889,-0.0
 0007896,0.00005631,-0.00010663,0.00007672,0.00000748,-0.00013162,-0.00
 002078,0.00064124,0.00006615,-0.00109242,0.00009997,-0.00007897,-0.000
 04569,0.00028850,-0.00035222,0.00085847,-0.11147113,-0.00723083,0.3017
 6552,-0.00424241,0.00091260,-0.00128267,-0.01121192,0.02061373,0.02614
 136,-0.00054004,-0.00125793,0.00073515,-0.00002606,0.00022710,0.000172
 72,0.00002702,-0.00051417,0.00015173,0.00125934,-0.00091730,0.00125810
 ,-0.05790831,0.03800824,0.03838202,0.00166185,-0.00851566,-0.01034099,
 0.00058866,-0.00111162,-0.00111468,-0.00128771,-0.00288449,0.00102199,
 -0.00002798,0.00006330,-0.00014964,0.00005221,-0.00027475,0.00017518,-
 0.00004378,0.00010738,-0.00016146,-0.00002566,0.00012495,0.00000699,0.
 00004871,0.00045753,0.00009296,-0.00036748,-0.00005173,0.00006677,0.00
 003382,0.00003463,-0.00003049,0.00012118,0.00036655,-0.00081366,0.0686
 2330,0.00034251,-0.00009193,0.00030522,-0.00033082,-0.00037813,-0.0009
 0426,-0.00063968,-0.00009017,-0.00020102,-0.00000641,-0.00007587,0.000
 42391,0.00038575,0.00007304,-0.00000040,-0.00048250,0.00089328,-0.0003
 4054,0.03807467,-0.14765928,-0.11815790,0.00411254,-0.02255414,-0.0232
 4224,0.00151979,0.00111602,-0.00094813,-0.00333777,-0.00428911,0.00331
 028,0.00000569,0.00002498,0.00006201,-0.00002547,0.00001158,-0.0000808
 7,0.00001297,-0.00000868,0.00005239,0.00001963,0.00000883,0.00001704,-
 0.00002563,0.00014907,-0.00011977,0.00001632,-0.00001855,0.00001256,0.
 00002380,-0.00002611,-0.00000998,0.00025468,-0.00026883,0.00040673,-0.
 03683635,0.16413003,0.00141968,-0.00046768,0.00014868,0.00251067,-0.00
 077301,-0.00253612,-0.00024794,0.00036439,-0.00023710,-0.00021752,0.00
 001656,0.00071501,0.00115010,0.00048598,-0.00019825,-0.00207091,0.0009
 0197,0.00022714,0.03797148,-0.11917402,-0.18602702,-0.00075792,0.00519
 659,0.00468268,-0.00001691,0.00046975,0.00032385,0.00051024,0.00087938
 ,0.00064531,0.00006500,-0.00021198,0.00004177,0.00000043,0.00006470,-0
 .00005111,0.00003119,-0.00002227,0.00003356,0.00001618,-0.00001584,0.0
 0000142,-0.00010672,-0.00029035,0.00040749,0.00008608,-0.00004290,-0.0
 0003073,0.00004014,-0.00004741,-0.00000931,0.00006527,-0.00065315,0.00
 021586,-0.04575240,0.13078659,0.19981768,0.00165191,-0.00049489,-0.002
 29710,-0.01558269,0.01144081,-0.02918450,-0.00022332,-0.00012746,0.000
 07821,0.00016795,0.00007520,0.00026919,-0.00022598,-0.00035186,-0.0016
 3961,-0.00591786,0.00090414,0.00249506,-0.08538835,0.03630382,-0.08027
 207,0.00441694,-0.00559952,0.01178651,0.00130134,-0.00025123,0.0008536
 9,0.00023450,0.00065550,0.00030857,0.00003213,-0.00001421,0.00003525,0
 .00003807,-0.00015709,-0.00001221,-0.00004541,0.00005872,-0.00000032,-
 0.00000776,0.00010120,0.00004074,0.00012812,0.00014098,0.00123846,0.00
 002050,0.00001473,0.00001380,-0.00047463,-0.00003177,0.00003301,0.0001
 3097,0.00018713,0.00004928,0.00270069,-0.00341797,0.00596767,0.0979538
 7,-0.00054746,0.00019097,0.00032890,0.00011946,-0.00124326,0.00178102,
 0.00010190,-0.00010296,-0.00004895,0.00001883,0.00001719,-0.00027815,-
 0.00041496,0.00023446,0.00030687,0.00028495,0.00096040,-0.00020908,0.0
 3789822,-0.07883861,0.07441455,0.01011888,-0.01457742,0.02705759,0.001
 44012,0.00080815,-0.00024725,0.00098114,0.00163875,0.00135804,-0.00001
 744,0.00003016,0.00000991,-0.00000395,0.00002286,-0.00000321,0.0000031
 0,-0.00000525,0.00000117,0.00000277,-0.00002183,-0.00000910,0.00015935
 ,0.00011684,-0.00037139,0.00000321,-0.00004550,0.00000188,0.00001149,-
 0.00012819,-0.00002390,0.00001925,-0.00013856,0.00017905,-0.00868459,0
 .00812299,-0.01732434,-0.03738628,0.08692238,0.00194288,-0.00051820,0.
 00045979,0.00158088,-0.00185290,0.00216204,-0.00045966,-0.00030154,0.0
 0031208,0.00013627,-0.00006042,0.00028387,0.00035659,0.00010265,-0.000
 00456,0.00017171,0.00035034,0.00037132,-0.08428779,0.07503226,-0.22902
 436,-0.00260228,0.00419415,-0.00777659,-0.00053611,-0.00027007,0.00006
 452,0.00022529,-0.00103045,0.00097830,-0.00000448,0.00009276,0.0000383
 6,0.00000800,-0.00008442,0.00001199,-0.00002807,0.00002658,-0.00001184
 ,-0.00001371,0.00004495,0.00001888,-0.00012678,0.00031067,0.00054481,-
 0.00007037,0.00002007,0.00000862,-0.00000832,-0.00000899,0.00000537,0.
 00022441,-0.00009972,0.00030616,-0.00899966,0.00848961,-0.01995845,0.0
 9016247,-0.08592932,0.24880416,-0.00022192,0.00009550,0.00025028,0.001
 14952,0.00009430,0.00065701,0.00025747,-0.00006870,0.00009007,0.000020
 46,0.00001489,-0.00029079,-0.00030065,0.00009154,0.00010191,0.00015427
 ,-0.00008133,-0.00002035,0.00436742,-0.00676936,0.01231117,-0.08962126
 ,0.03701536,-0.08602266,-0.01780024,0.01276625,-0.02711265,0.00212109,
 -0.00153304,0.00446279,-0.00000621,-0.00000665,-0.00000275,-0.00001174
 ,0.00003096,-0.00003517,0.00001159,-0.00001678,0.00002686,0.00000897,-
 0.00001393,0.00000299,-0.00000776,0.00001232,-0.00008310,0.00001354,0.
 00000892,-0.00000293,0.00000819,-0.00003017,0.00000211,-0.00020681,-0.
 00030836,-0.00009688,0.00038486,0.00080704,-0.00035195,-0.00084836,-0.
 00289547,0.00118915,0.10311662,-0.00064061,0.00025181,0.00047943,0.001
 79043,0.00082286,-0.00081380,0.00056566,-0.00003247,0.00008798,-0.0000
 2254,0.00002048,-0.00051160,-0.00052512,0.00015442,-0.00007875,0.00012
 436,0.00022418,0.00059242,0.00957812,-0.01482839,0.02615015,0.03664145
 ,-0.07873597,0.07366426,0.00252885,-0.00181557,0.00352282,-0.00922438,
 0.00667614,-0.02101110,-0.00000941,-0.00003792,-0.00004916,0.00000430,
 0.00002108,0.00001218,0.00000489,-0.00000765,-0.00000845,-0.00000228,-
 0.00001704,-0.00000643,0.00003051,-0.00009257,-0.00015060,-0.00000884,
 -0.00002550,0.00000372,-0.00004459,0.00000498,0.00001586,-0.00023669,-
 0.00028404,-0.00043012,0.00055958,0.00099703,-0.00049985,-0.00266934,-
 0.00485285,0.00115396,-0.03941241,0.09125593,0.00043555,-0.00006728,-0
 .00038925,-0.00113635,0.00000796,0.00034733,-0.00039606,0.00002316,0.0
 0000993,0.00008638,0.00002457,0.00031534,0.00041201,-0.00019466,-0.000
 00961,-0.00001183,-0.00047438,-0.00016748,-0.00197819,0.00454689,-0.00
 727346,-0.08552401,0.07333431,-0.21878693,0.00293695,-0.00232339,0.005
 17337,-0.00978201,0.00672880,-0.02375029,0.00001962,0.00001951,0.00003
 174,0.00000754,0.00000087,-0.00005461,-0.00001803,-0.00001046,0.000038
 78,-0.00001570,0.00001144,0.00002603,0.00000956,-0.00002384,0.00012822
 ,0.00000087,0.00001011,0.00000154,0.00003341,-0.00001206,-0.00000532,-
 0.00010183,0.00013518,0.00034393,0.00029476,0.00025800,0.00076658,0.00
 068936,0.00116510,0.00104882,0.09246351,-0.07882426,0.24096225,0.00015
 774,-0.00000753,0.00005716,0.00014240,0.00006637,-0.00047876,0.0000623
 2,-0.00001448,-0.00005851,0.00001757,-0.00000321,-0.00002483,-0.000019
 22,0.00000982,-0.00001446,0.00003857,-0.00000643,0.00005979,0.00131970
 ,0.00144546,0.00056927,-0.00394747,0.02092345,0.02582132,-0.05151935,0
 .02119243,0.02496631,-0.00672199,-0.00017432,0.00008686,0.00000442,-0.
 00000277,0.00000070,0.00000238,0.00006274,0.00002382,0.00000166,-0.000
 01950,-0.00001202,-0.00001032,-0.00004496,-0.00001881,-0.00000856,0.00
 002972,-0.00002436,0.00002335,0.00000205,-0.00000828,0.00000354,0.0000
 0282,0.00000358,-0.00003104,0.00000405,-0.00002827,-0.00015308,-0.0008
 9155,-0.00031814,-0.00003245,-0.00012860,-0.00006892,0.00133192,-0.000
 02141,-0.00061677,0.05662151,-0.00003634,0.00004109,0.00002218,0.00010
 656,0.00010125,0.00022077,-0.00002423,-0.00000491,0.00003996,0.0000013
 8,-0.00000827,0.00000142,0.00000047,-0.00000018,0.00001552,0.00005499,
 0.00002040,-0.00010796,-0.00070415,0.00058326,0.00067424,0.00021798,-0
 .00447002,-0.00301036,0.02232052,-0.15440421,-0.12537039,0.00183436,0.
 00040772,0.00052375,-0.00000018,-0.00000139,0.00001502,-0.00002353,0.0
 0001859,-0.00005637,0.00001806,-0.00001365,0.00004179,0.00001749,0.000
 00332,0.00001221,0.00000017,-0.00002181,0.00001563,-0.00000171,-0.0000
 0347,-0.00000308,0.00001046,-0.00000183,0.00000127,0.00001344,-0.00000
 293,0.00001619,-0.00006322,0.00049592,-0.00000396,-0.00000217,-0.00001
 134,0.00005808,0.00013191,-0.00011793,0.00018776,-0.02526373,0.1657429
 8,-0.00012349,0.00005562,-0.00002841,0.00007653,0.00030590,0.00032579,
 -0.00002808,-0.00002263,0.00004484,-0.00000620,-0.00000224,0.00000614,
 -0.00000100,0.00000508,-0.00000269,0.00000063,0.00002475,-0.00003045,-
 0.00064167,-0.00042924,-0.00021782,-0.00016175,-0.00263490,-0.00450007
 ,0.02641156,-0.12499898,-0.19402952,0.00207565,0.00025870,0.00090143,-
 0.00000439,0.00000008,0.00000234,-0.00001100,-0.00002812,-0.00003064,0
 .00001045,0.00000814,0.00001876,0.00001457,0.00002610,0.00001284,0.000
 00026,-0.00001992,0.00001616,-0.00001409,-0.00000802,0.00000087,-0.000
 00197,-0.00000472,0.00000029,0.00000818,-0.00002734,-0.00000071,0.0003
 9581,0.00066809,0.00033087,0.00003262,-0.00009030,-0.00004912,0.000376
 51,0.00017900,0.00072538,-0.02973716,0.13927455,0.20877129,0.00007164,
 -0.00003462,-0.00009610,0.00010669,0.00003447,0.00048431,-0.00010389,0
 .00002622,-0.00000509,0.00000349,0.00000537,0.00010360,0.00015167,-0.0
 0007583,0.00004838,0.00004787,-0.00012760,-0.00015050,0.00152966,0.001
 27085,-0.00134980,-0.01716231,0.01269721,-0.02823290,-0.09588063,0.040
 87127,-0.09146803,0.00145494,-0.00080090,-0.00142317,0.00000767,0.0000
 0347,0.00000708,0.00000564,-0.00000913,-0.00000555,-0.00000799,0.00000
 072,0.00000397,-0.00000671,0.00000718,0.00000691,-0.00001406,-0.000003
 29,0.00003425,0.00000015,0.00000658,0.00000205,0.00002145,0.00000255,-
 0.00000377,0.00002539,0.00009556,0.00011759,-0.00005197,-0.00011060,0.
 00004223,-0.00006941,-0.00073990,0.00078680,-0.00623550,0.00075582,0.0
 0176313,0.00146918,-0.00240969,0.00362085,0.10765299,0.00007297,-0.000
 04543,0.00001347,-0.00011080,-0.00005235,-0.00009890,-0.00000258,-0.00
 000932,-0.00001555,0.00000242,-0.00000512,0.00000978,0.00000107,0.0000
 0251,-0.00001690,-0.00003151,-0.00001339,0.00002345,-0.00057585,0.0004
 6456,-0.00073699,0.00252345,-0.00284990,0.00406830,0.04111606,-0.08151
 567,0.07601062,-0.00010929,0.00003288,0.00088925,-0.00000050,0.0000017
 5,0.00000826,-0.00000959,0.00004107,0.00000043,0.00000980,-0.00001372,
 0.00000251,0.00000461,-0.00002545,-0.00001097,-0.00000507,0.00001920,-
 0.00000269,0.00001046,0.00000329,-0.00000537,0.00000256,0.00000429,0.0
 0000276,-0.00000196,-0.00001337,-0.00001636,0.00001465,-0.00000658,-0.
 00012194,0.00001026,0.00044610,0.00002208,0.00095542,0.00062416,-0.000
 53139,-0.01018243,0.00851175,-0.01736697,-0.04689508,0.08431956,-0.000
 10227,0.00002268,0.00000282,0.00009138,-0.00023067,0.00025045,0.000030
 91,0.00000562,0.00002119,-0.00000394,0.00000328,-0.00002991,-0.0000128
 5,0.00002401,0.00006310,0.00014702,0.00002579,-0.00009177,0.00017546,-
 0.00028321,0.00046457,0.00175575,-0.00203018,0.00375435,-0.09236921,0.
 07621572,-0.21795388,0.00037672,-0.00026184,0.00128202,0.00000307,-0.0
 0000370,-0.00000580,0.00000950,-0.00001891,0.00000199,-0.00001243,0.00
 000465,-0.00000128,-0.00001043,0.00001024,0.00000743,-0.00000397,-0.00
 000155,0.00000860,-0.00000765,0.00000467,0.00000584,0.00000778,-0.0000
 0317,-0.00000431,0.00002202,0.00000102,0.00001004,-0.00005530,0.000099
 93,-0.00015594,-0.00038461,-0.00036677,0.00025159,0.00135812,-0.000478
 95,0.00124471,-0.01017849,0.00940682,-0.01952307,0.10198362,-0.0848471
 6,0.23609740,-0.00045739,0.00011253,-0.00010632,0.00025478,-0.00189982
 ,0.00060071,-0.00001662,0.00017717,0.00007125,-0.00005527,-0.00000146,
 0.00002472,0.00001166,0.00010666,-0.00000876,-0.00019203,0.00005807,0.
 00011023,-0.00646299,0.00248520,0.00062874,-0.01432880,-0.02906482,0.0
 0834242,-0.09570355,-0.09756256,0.02701727,0.00127341,-0.00134539,-0.0
 0065541,-0.00000828,-0.00001997,-0.00004693,0.00004554,-0.00019734,0.0
 0006724,-0.00003786,0.00007921,-0.00006041,-0.00001200,0.00010804,0.00
 002129,0.00001811,-0.00009546,0.00002600,-0.00006011,0.00000430,0.0000
 2492,-0.00003699,-0.00000157,-0.00001144,0.00002618,-0.00006931,-0.000
 04180,0.00011191,0.00036015,-0.00024588,0.00013011,0.00010022,0.000249
 89,0.00118929,-0.00000909,-0.00071349,0.00145221,0.00397699,-0.0019274
 2,0.00649751,0.01314957,-0.00253786,0.10609106,-0.00010135,0.00001594,
 -0.00006508,0.00041422,0.00028914,0.00015189,-0.00007181,-0.00002490,0
 .00002575,0.00002819,0.00000033,0.00003834,0.00000939,-0.00001873,-0.0
 0004528,-0.00012520,0.00001334,0.00003609,0.00036113,0.00079910,-0.000
 63271,0.00269884,0.00394607,-0.00204166,-0.09905305,-0.24280740,0.0539
 5338,0.00055223,0.00072654,-0.00006541,-0.00000582,0.00000601,-0.00001
 232,0.00002785,-0.00008340,0.00002753,-0.00002361,0.00003655,-0.000028
 39,-0.00001176,0.00004302,0.00000895,0.00001525,0.00000035,-0.00001986
 ,-0.00002243,0.00000669,0.00000750,-0.00001683,-0.00000141,-0.00000338
 ,0.00002136,0.00000272,0.00002210,0.00023137,0.00029920,0.00019025,0.0
 0017846,0.00011052,-0.00015850,-0.00068624,0.00046837,-0.00019628,-0.0
 0822577,-0.01741376,0.00533603,-0.00437916,-0.00998303,0.00224810,0.10
 827629,0.26300107,-0.00004048,-0.00000603,-0.00000111,-0.00004286,0.00
 041500,0.00058131,-0.00000177,-0.00003755,0.00001135,0.00000851,0.0000
 0310,0.00000539,0.00001955,-0.00003818,0.00002448,0.00015122,-0.000020
 89,-0.00006465,0.00117671,-0.00077666,0.00001546,0.00163122,0.00424806
 ,-0.00274279,0.02722934,0.05336128,-0.06199427,-0.00000447,0.00090939,
 0.00006151,0.00000109,0.00000438,0.00000987,-0.00000708,0.00005034,0.0
 0000236,0.00000841,-0.00001697,0.00000121,0.00000114,-0.00003230,-0.00
 001251,-0.00001470,0.00002523,-0.00000671,0.00000547,0.00000124,-0.000
 00503,0.00001347,-0.00000312,0.00000090,0.00000035,0.00000852,0.000006
 07,-0.00005067,0.00040000,0.00020204,-0.00017058,-0.00041791,0.0003261
 0,-0.00008059,-0.00048953,0.00029194,-0.01145885,-0.02137967,0.0067928
 0,0.01234367,0.02333377,-0.00615745,-0.03078783,-0.05899841,0.06263570
 ,-0.00003216,0.00011269,-0.00037880,-0.00006224,0.00004554,0.00003944,
 -0.00003356,0.00007588,0.00009153,0.00001884,-0.00000909,0.00008311,0.
 00017161,-0.00000989,0.00003183,-0.00002399,-0.00011384,0.00004151,0.0
 0003759,0.00023592,-0.00052735,0.00083756,-0.00194765,0.00380084,0.000
 87450,-0.00064027,0.00093880,-0.08858407,0.03434787,-0.08682480,0.0000
 2168,-0.00002501,0.00000694,0.00000903,0.00006976,-0.00000477,-0.00000
 269,-0.00002742,0.00001348,-0.00002712,-0.00003857,0.00000129,-0.00001
 054,-0.00023906,0.00020241,-0.00002142,0.00000589,-0.00000075,0.000005
 32,0.00000963,0.00000565,0.00001140,0.00000629,0.00002920,-0.00002340,
 -0.00013450,0.00013618,0.00002900,-0.00030096,-0.00003213,0.00066004,0
 .00049641,0.00095490,0.00003003,-0.00011313,-0.00017643,0.00026512,0.0
 0017482,-0.00017585,-0.00003174,-0.00003746,0.00005826,0.09151586,0.00
 003215,-0.00001708,0.00004417,-0.00001613,-0.00001592,0.00013422,-0.00
 005529,0.00002016,0.00000094,-0.00001422,-0.00000902,0.00004490,0.0000
 4593,0.00000892,0.00002603,-0.00001273,-0.00000058,-0.00014928,-0.0004
 6177,0.00186011,-0.00087870,-0.00936509,0.00676007,-0.02010889,-0.0009
 8763,0.00084813,0.00023153,0.03452286,-0.07596551,0.07357387,-0.000005
 51,-0.00000187,0.00001624,-0.00001517,0.00000805,-0.00000939,0.0000147
 0,-0.00000156,0.00000629,0.00002098,-0.00000163,-0.00000772,-0.0001033
 5,-0.00003579,0.00000309,0.00001456,0.00000553,-0.00000610,0.00000710,
 -0.00000532,-0.00000243,0.00001148,0.00000922,0.00005535,0.00024426,0.
 00022928,0.00027254,0.00028605,-0.00009734,0.00049112,0.00059055,-0.00
 244951,-0.00389081,-0.00024702,0.00002653,0.00019563,0.00017227,0.0000
 6196,0.00043301,0.00014641,-0.00008304,0.00008788,-0.03868550,0.080654
 54,-0.00014093,0.00005899,-0.00025929,0.00006173,-0.00015329,0.0000295
 1,-0.00000262,-0.00000058,0.00009073,0.00000187,0.00000243,-0.00000739
 ,0.00001642,-0.00002017,0.00009536,0.00014307,-0.00004583,-0.00011011,
 0.00019140,0.00139211,0.00076416,-0.01050121,0.00810225,-0.02423356,-0
 .00111928,0.00096605,0.00083971,-0.08634796,0.07281336,-0.22955384,0.0
 0000800,-0.00000105,0.00000325,0.00000728,-0.00002646,-0.00001349,-0.0
 0001170,0.00000460,0.00000993,-0.00000889,0.00001999,0.00001540,-0.000
 00257,-0.00004155,0.00012724,-0.00001277,0.00000368,0.00000518,0.00000
 863,0.00000281,-0.00000202,0.00002239,0.00004552,0.00010158,0.00029596
 ,-0.00001861,0.00037805,-0.00019242,-0.00096979,0.00066561,0.00126108,
 -0.00415418,-0.00272791,0.00011875,-0.00015877,0.00053303,0.00103378,-
 0.00045307,0.00032067,0.00003001,-0.00002397,-0.00005844,0.09618043,-0
 .07800540,0.25450248,-0.00053778,-0.00091573,0.00001254,-0.00032120,-0
 .00095592,-0.00056723,0.00032517,-0.00019551,0.00006431,-0.00002710,0.
 00007999,-0.00024186,-0.00020543,0.00009944,0.00010016,0.00044752,-0.0
 0024535,0.00023726,-0.00028114,-0.00019887,0.00014575,-0.00330552,0.00
 089369,0.00058339,0.00104113,0.00079815,0.00143155,-0.29769204,0.04302
 974,0.03783240,0.00000336,0.00001481,-0.00000473,0.00001877,0.00004641
 ,0.00004789,-0.00001827,-0.00001335,-0.00003261,-0.00002167,-0.0000482
 0,-0.00002276,-0.00007500,0.00020139,-0.00011800,0.00002302,0.00001779
 ,-0.00000608,0.00000299,0.00000540,0.00000503,-0.00000858,0.00001686,-
 0.00002306,0.00004129,0.00011300,-0.00000513,-0.00001655,0.00001305,0.
 00002723,0.00047255,0.00011257,0.00041290,-0.00031397,0.00002670,0.000
 00094,0.00024948,-0.00018880,-0.00007983,0.00020669,-0.00006026,-0.000
 20992,-0.01156952,0.00142999,0.00156901,0.32411474,-0.00037702,-0.0002
 2617,0.00021866,-0.00001051,-0.00074880,-0.00025462,-0.00028688,0.0001
 0207,0.00006088,-0.00005438,-0.00006113,0.00016803,0.00019168,-0.00003
 958,-0.00004381,-0.00030966,0.00007058,-0.00029995,0.00064358,0.000672
 57,0.00049101,0.02239814,-0.00389059,-0.00133141,-0.00068729,-0.003007
 43,-0.00352510,0.04061059,-0.05437567,-0.00626024,0.00001820,-0.000004
 99,0.00005869,-0.00006280,0.00031740,-0.00002968,0.00004777,-0.0001188
 4,0.00005074,-0.00000439,-0.00019234,-0.00005215,0.00001713,-0.0001944
 6,0.00007833,0.00002015,0.00000284,-0.00002758,0.00001501,0.00000569,0
 .00001534,0.00001607,-0.00000036,0.00008098,-0.00003004,0.00027486,-0.
 00002731,-0.00000693,-0.00007906,-0.00002815,-0.00058011,0.00082149,0.
 00032662,0.00144354,0.00001691,-0.00060213,-0.00039866,0.00006975,0.00
 005574,0.00018741,0.00029305,-0.00015992,0.01099837,-0.00261888,-0.001
 89026,-0.04595280,0.05714075,-0.00020190,-0.00001677,0.00021645,-0.000
 16957,-0.00030113,0.00030330,0.00015904,-0.00010726,0.00000330,-0.0000
 3013,-0.00000831,-0.00009473,-0.00018887,0.00007642,-0.00000821,0.0000
 1653,0.00015922,-0.00014358,-0.00000245,0.00072728,0.00065651,0.025183
 69,-0.00298289,-0.00367208,-0.00053221,-0.00359710,-0.00361123,0.03683
 678,-0.00609660,-0.05324097,-0.00001877,0.00001556,0.00000647,-0.00002
 126,0.00000255,0.00002018,0.00001780,0.00000527,-0.00001659,0.00002924
 ,-0.00000728,-0.00002399,-0.00004739,0.00021252,-0.00011731,0.00002240
 ,0.00002048,-0.00001192,-0.00000377,-0.00002554,-0.00000585,0.00000715
 ,-0.00002210,-0.00002601,0.00004834,0.00020647,-0.00009662,-0.00008745
 ,-0.00008478,-0.00003120,-0.00000271,0.00089268,0.00070193,0.00163152,
 -0.00063502,-0.00007467,0.00021449,-0.00025561,0.00021415,-0.00040875,
 0.00005342,0.00003104,-0.02765489,0.00389981,0.00487681,-0.04250647,0.
 00937857,0.05616031,-0.00013278,-0.00015361,-0.00021762,0.00002259,-0.
 00023291,-0.00000705,0.00021636,-0.00012101,0.00001993,0.00005350,0.00
 003494,-0.00014440,-0.00016553,0.00004927,0.00005024,0.00026556,-0.000
 08750,0.00021636,-0.00008483,0.00104256,0.00061647,0.00062933,0.004742
 00,-0.00153970,0.00067774,0.00090185,-0.00023034,-0.09680583,-0.099180
 76,0.02694214,-0.00001158,0.00001361,-0.00002809,0.00004405,-0.0001844
 7,0.00003306,-0.00002939,0.00007627,-0.00004130,-0.00000379,0.00010997
 ,0.00002541,-0.00003457,0.00010905,-0.00005934,-0.00001148,0.00001174,
 0.00001289,-0.00001263,-0.00000430,-0.00000837,0.00000596,0.00000302,-
 0.00003223,0.00033566,0.00017439,0.00013422,-0.00004036,-0.00017407,0.
 00015305,-0.00001420,-0.00036101,-0.00024472,0.00006534,-0.00008999,-0
 .00018194,-0.00002870,0.00005902,-0.00002568,0.00014371,0.00001260,0.0
 0021043,0.00592350,0.01243966,-0.00260566,-0.01258053,-0.02792092,0.00
 771424,0.10161157,-0.00003130,0.00008873,0.00005227,0.00098429,0.00016
 905,-0.00004030,-0.00006716,0.00003586,-0.00002752,-0.00001942,0.00000
 854,0.00006694,0.00005463,0.00001315,-0.00004209,-0.00023943,0.0001160
 2,-0.00002429,0.00132189,-0.00167293,-0.00450888,-0.00938797,-0.019627
 55,0.00624744,-0.00098510,0.00049517,0.00121352,-0.09807246,-0.2417360
 0,0.05365743,-0.00000718,-0.00000351,-0.00003140,0.00004006,-0.0001722
 1,0.00004183,-0.00003369,0.00006997,-0.00004472,-0.00001031,0.00009670
 ,0.00002277,0.00004455,-0.00000775,-0.00003405,-0.00002868,-0.00000407
 ,0.00001792,-0.00002348,-0.00000415,-0.00001055,0.00002581,-0.00003352
 ,0.00001796,-0.00083382,-0.00134932,0.00005444,0.00013826,0.00052067,-
 0.00004983,-0.00021052,0.00095298,-0.00022717,0.00004770,0.00051024,-0
 .00009663,0.00003422,-0.00007029,-0.00003778,0.00093765,0.00036194,-0.
 00047221,-0.00426130,-0.00918735,0.00254936,0.00186883,0.00575689,-0.0
 0150888,0.10874657,0.26467867,0.00000597,0.00023287,-0.00019808,0.0007
 4971,0.00010065,-0.00007948,-0.00014410,0.00006134,0.00006113,-0.00002
 600,-0.00003349,0.00012368,0.00012809,0.00000182,-0.00003489,-0.000159
 19,0.00004069,-0.00003945,0.00108531,-0.00285209,-0.00373639,-0.011117
 49,-0.02255734,0.00577901,-0.00092885,0.00011134,0.00087722,0.02731812
 ,0.05521383,-0.06155945,0.00000490,-0.00001439,0.00000723,-0.00000962,
 0.00002071,0.00000637,0.00000983,-0.00000644,-0.00000106,0.00000700,-0
 .00001354,-0.00000842,0.00000920,-0.00014154,0.00014176,-0.00001803,0.
 00000091,-0.00000166,-0.00000884,0.00000212,0.00000092,0.00001601,-0.0
 0002792,0.00001829,-0.00052607,-0.00145494,0.00037203,0.00015305,-0.00
 022921,0.00020503,-0.00045101,0.00073937,0.00102208,-0.00029366,0.0002
 0455,0.00000560,0.00014163,0.00009581,-0.00007703,0.00032950,0.0001889
 3,0.00004391,0.01316078,0.02354267,-0.00639205,0.00133922,0.00355797,-
 0.00201716,-0.03076767,-0.05679130,0.06547691,-0.00022578,0.00000825,-
 0.00000588,0.00012198,0.00003866,-0.00032048,0.00150498,-0.00040796,0.
 00228376,-0.01209703,0.00109697,0.03363064,-0.00612615,0.00088059,-0.0
 0141275,0.00019546,-0.00017506,0.00161460,0.00000983,-0.00001100,-0.00
 009207,0.00000950,0.00001147,0.00000938,0.00000099,-0.00000680,-0.0000
 0430,-0.00000651,0.00000098,0.00000374,-0.05581103,0.00246184,0.052170
 83,0.00172972,-0.00002747,-0.01189420,-0.00120440,0.00273946,-0.001218
 85,-0.00017376,-0.00035026,0.00010232,0.00006638,0.00000700,-0.0000083
 5,-0.00013821,0.00016980,-0.00125161,0.00018859,0.00001731,-0.00007015
 ,-0.00047844,0.00000208,0.00005636,0.00001646,-0.00000551,-0.00000688,
 -0.00003582,0.00000154,-0.00001131,0.00000266,0.00000878,-0.00000896,0
 .00000281,-0.00000105,-0.00000045,-0.00000355,0.00000182,-0.00000201,-
 0.00000371,-0.00000014,0.00000182,-0.00000674,0.00000101,-0.00000656,0
 .00000291,0.00000216,0.00000897,-0.00000032,-0.00000196,-0.00000301,0.
 06973330,-0.00005578,-0.00016790,0.00001544,0.00000368,0.00005229,-0.0
 0000703,-0.00013226,0.00006914,-0.00031267,0.00057979,0.00000466,-0.00
 344026,0.00053780,0.00095341,0.00017924,0.00000327,0.00024217,-0.00012
 233,-0.00000228,0.00002624,0.00001545,0.00000987,-0.00000086,0.0000036
 8,-0.00000066,0.00000005,-0.00000240,-0.00000303,-0.00000386,-0.000001
 88,0.00303939,-0.05146393,-0.01427806,-0.00934380,0.00441746,0.0297382
 4,0.00499314,-0.00550126,0.00292445,0.00123010,-0.00147663,-0.00096738
 ,-0.00001859,-0.00006086,-0.00000307,0.00010434,0.00026251,0.00019322,
 0.00001577,-0.00021904,-0.00004556,0.00003112,-0.00014065,-0.00000800,
 -0.00001186,-0.00000056,0.00000030,0.00000577,0.00000201,0.00000117,-0
 .00000101,-0.00000183,-0.00000186,0.00000069,-0.00000016,-0.00000030,0
 .00000007,0.00000028,0.00000024,0.00000027,-0.00000053,0.00000042,0.00
 000126,0.00000117,0.00000021,-0.00000046,0.00000254,0.00000226,-0.0000
 0102,-0.00000077,0.00000149,-0.00333474,0.05716843,0.00039268,-0.00001
 135,0.00025044,-0.00012570,-0.00003172,0.00031472,-0.00309614,0.000386
 13,0.00067572,0.00222235,0.00000580,-0.00422349,0.00059413,-0.00012962
 ,0.00084113,-0.00036964,0.00001033,-0.00030840,-0.00001591,0.00001070,
 0.00004651,-0.00000995,-0.00001735,-0.00000388,-0.00000064,0.00000940,
 0.00000012,0.00000504,0.00000507,-0.00000292,0.05524950,-0.01023991,-0
 .29491691,0.00282448,-0.00266370,-0.01841668,-0.00114195,0.00373193,0.
 00011091,0.00010071,-0.00132922,0.00235477,0.00002671,-0.00000191,-0.0
 0001317,0.00018460,-0.00008507,0.00075893,-0.00015314,0.00001793,0.000
 12363,0.00008859,-0.00000962,-0.00000025,-0.00000599,-0.00000066,-0.00
 000333,0.00001836,-0.00000238,0.00000575,-0.00000097,-0.00000159,0.000
 00444,-0.00000250,-0.00000008,0.00000071,0.00000164,-0.00000223,0.0000
 0254,0.00000571,0.00000265,-0.00000245,0.00000171,-0.00000251,0.000003
 98,-0.00000110,-0.00000949,-0.00000548,0.00000460,0.00000552,-0.000000
 82,-0.05611853,0.01424876,0.32167209,-0.00086909,0.00165437,0.00012769
 ,-0.00008327,-0.00002154,-0.00060671,-0.00099350,-0.00072484,0.0021839
 7,-0.02561276,-0.02665110,-0.01447171,0.00001949,-0.00063917,-0.000912
 52,0.00051678,0.00083560,-0.00036429,-0.00004805,-0.00018893,0.0000530
 8,-0.00002055,0.00013266,-0.00002170,0.00000052,-0.00006726,0.00000764
 ,-0.00000599,-0.00001867,0.00001861,-0.09401634,-0.03906318,-0.0198099
 9,0.00716928,0.00249482,0.00653628,-0.00092256,0.00182572,-0.00113471,
 -0.00124154,0.00436996,-0.00070862,-0.00019461,0.00011964,-0.00001333,
 -0.00006133,-0.00059095,-0.00031548,-0.00025672,-0.00023579,0.00010525
 ,0.00004724,-0.00007744,0.00003683,-0.00008058,0.00002581,-0.00003199,
 -0.00003139,0.00001442,0.00002032,0.00000380,-0.00001552,0.00000843,0.
 00000356,0.00000849,0.00000165,-0.00000110,0.00000643,-0.00000599,-0.0
 0003539,-0.00000947,0.00000742,-0.00000272,0.00000526,-0.00000500,0.00
 000342,0.00004390,0.00000946,-0.00002132,-0.00002494,-0.00000083,0.003
 07388,0.00453797,0.00140091,0.54895249,-0.00007618,-0.00050721,0.00004
 858,0.00028417,-0.00002509,0.00001868,0.00220493,-0.00093338,0.0004293
 7,-0.00815754,0.00323649,0.00173294,0.00139610,0.00016271,-0.00057506,
 -0.00011785,-0.00001442,-0.00007334,-0.00004881,0.00013797,-0.00005166
 ,0.00005181,-0.00009777,0.00002241,0.00000181,0.00005729,-0.00000400,-
 0.00000284,0.00001007,-0.00001628,-0.03529375,-0.13524741,-0.03185837,
 -0.01288701,-0.03539534,-0.00796065,-0.00047561,0.00095720,-0.00445066
 ,0.00116965,-0.00407148,0.00164641,0.00013725,0.00005300,0.00003897,0.
 00003760,0.00031239,-0.00003625,-0.00002251,0.00010443,-0.00003498,0.0
 0007055,-0.00004584,-0.00004338,0.00006765,-0.00001426,-0.00001567,0.0
 0003479,-0.00000668,0.00001375,-0.00000855,-0.00000197,0.00000162,-0.0
 0000279,-0.00000828,-0.00000425,0.00000429,-0.00000515,0.00000737,0.00
 003005,0.00000843,-0.00000633,0.00000211,-0.00000549,0.00000699,-0.000
 00027,-0.00003403,-0.00000850,0.00001709,0.00002003,-0.00000058,-0.001
 13906,-0.00257308,-0.00195991,-0.04639563,0.50453990,0.00040779,0.0001
 1087,-0.00027235,0.00027954,0.00003695,0.00067218,-0.00013931,0.000094
 71,-0.00040177,-0.00335506,0.00324087,0.00250503,0.00206534,-0.0003770
 4,-0.00020982,-0.00082852,0.00000886,-0.00022118,-0.00003436,-0.000013
 43,-0.00004987,0.00000903,-0.00005057,0.00003186,0.00000092,0.00002816
 ,-0.00000841,-0.00000137,0.00000748,-0.00001107,-0.01725684,-0.0322577
 3,-0.10084555,0.01003365,0.00589988,0.00854630,-0.00041862,0.00082474,
 -0.00119013,-0.00180316,0.00392718,-0.00011993,0.00006178,-0.00003572,
 -0.00001241,0.00007358,-0.00027785,0.00021631,0.00028853,0.00034421,-0
 .00029207,0.00002244,-0.00007741,-0.00002322,0.00006929,-0.00002350,0.
 00000566,0.00001058,-0.00001050,-0.00001100,-0.00000287,0.00001564,-0.
 00001227,0.00000056,-0.00000595,-0.00000063,-0.00000202,-0.00000261,0.
 00000069,0.00001332,0.00000283,-0.00000261,0.00000464,-0.00000479,0.00
 000121,0.00000201,-0.00001215,-0.00000663,0.00000525,0.00000814,0.0000
 0247,-0.01656982,-0.02745350,-0.01116699,-0.02117055,-0.03927456,0.558
 41854,0.00009596,0.00003744,-0.00004055,-0.00003123,-0.00001747,0.0000
 9503,-0.00001199,-0.00008758,-0.00012539,0.00049239,-0.00106429,0.0002
 0038,0.00008251,-0.00009902,-0.00000764,-0.00014295,-0.00000348,0.0000
 2457,-0.00000874,0.00002583,-0.00000831,0.00000478,0.00001348,0.000009
 78,-0.00000768,-0.00000422,-0.00000579,-0.00005286,-0.00000529,0.00000
 397,0.00549369,0.00034450,-0.00020019,0.00499298,0.00032510,0.00315344
 ,-0.00605267,-0.00076065,-0.00047664,-0.05132226,0.10345610,-0.0670027
 4,0.00001234,0.00002184,0.00000285,-0.00000112,-0.00001770,0.00003956,
 0.00004041,0.00006649,0.00000786,-0.00000346,0.00002174,0.00000188,0.0
 0000844,-0.00001182,-0.00001386,0.00000713,-0.00000313,0.00001377,-0.0
 0000331,0.00000228,0.00001883,0.00000761,-0.00001060,-0.00001142,0.000
 00650,-0.00000362,0.00000925,0.00000085,0.00000551,-0.00000029,0.00002
 266,-0.00001839,0.00000942,0.00002265,0.00001943,-0.00002621,-0.000012
 46,0.00000049,-0.00000409,-0.00010616,-0.00020468,-0.00046958,-0.00036
 337,0.00039399,-0.00051415,0.04677191,-0.00002454,-0.00000492,0.000021
 98,0.00002662,-0.00002052,-0.00000464,0.00010444,0.00007849,0.00009614
 ,0.00001369,-0.00002169,0.00014986,0.00005984,0.00016269,0.00003927,-0
 .00001383,-0.00000600,-0.00010632,0.00002590,-0.00003466,0.00000264,-0
 .00000228,0.00006064,0.00000057,-0.00000029,-0.00002908,-0.00000454,-0
 .00000016,-0.00001474,0.00000262,-0.00172112,-0.00169554,-0.00552517,0
 .01367785,-0.04962095,0.01766315,-0.00081682,0.00910363,0.00497341,0.0
 9082922,-0.32380859,0.16122674,-0.00001979,0.00000961,-0.00001867,0.00
 001389,-0.00002484,0.00000912,0.00008235,-0.00008436,-0.00011113,-0.00
 001134,0.00001004,0.00002348,-0.00002084,-0.00000135,0.00000663,-0.000
 02029,0.00000216,-0.00001038,0.00000516,0.00000531,-0.00000514,0.00000
 581,0.00000188,-0.00000240,-0.00000248,0.00000486,-0.00000284,-0.00002
 181,-0.00001139,0.00000609,0.00000363,0.00000105,-0.00000382,0.0000077
 8,0.00003923,0.00000356,-0.00002958,-0.00002145,0.00000651,-0.00026277
 ,0.00082392,-0.00016628,0.00096156,-0.00081363,0.00062559,-0.10254080,
 0.36636969,-0.00004065,-0.00001778,-0.00000139,0.00001747,-0.00000191,
 -0.00001795,-0.00001102,-0.00000248,0.00001467,-0.00018943,0.00014441,
 -0.00016361,-0.00000747,0.00005114,0.00006018,0.00001906,0.00001072,-0
 .00002645,0.00001058,-0.00001149,0.,0.00001000,0.00001874,0.00001952,-
 0.00000049,-0.00001179,-0.00000565,-0.00000557,-0.00000997,-0.00000360
 ,-0.00144384,-0.00306099,-0.00202602,0.00948002,-0.02685984,0.02180379
 ,-0.00004699,0.00420224,-0.00458769,-0.07294347,0.20522187,-0.16631175
 ,-0.00001736,0.00000524,-0.00000908,0.00002286,0.00000188,0.00001907,0
 .00001164,-0.00006979,-0.00004250,0.00000734,-0.00000488,0.00000343,-0
 .00000659,-0.00000306,0.00000319,-0.00000863,0.00000380,-0.00000830,-0
 .00000059,0.00000103,-0.00001375,0.00000392,-0.00000171,-0.00000119,-0
 .00000379,0.00000431,-0.00000434,-0.00000595,-0.00000331,0.00000414,-0
 .00000462,0.00000653,-0.00000672,0.00000496,0.00001485,0.00001280,-0.0
 0000635,-0.00000648,0.00000556,-0.00004980,-0.00011066,0.00031849,0.00
 017362,-0.00080969,0.00081186,0.06512902,-0.17855117,0.15027497,0.0003
 6573,-0.00007747,-0.00011124,0.00005077,-0.00002448,0.00032772,-0.0004
 6601,0.00019228,-0.00022212,0.00153380,0.00066752,-0.00054426,-0.00004
 347,-0.00001651,-0.00034180,-0.00034975,0.00013854,0.00009142,-0.00001
 598,-0.00001036,0.00003129,-0.00001048,-0.00002074,-0.00000134,-0.0000
 0068,0.00001073,0.00000010,0.00000248,0.00000647,-0.00000450,0.0017538
 0,-0.00092547,-0.01699006,0.00062052,0.00052461,0.00090452,-0.00044719
 ,-0.00021615,-0.00007087,-0.00000185,-0.00013242,-0.00029896,0.0000133
 6,-0.00000084,0.00000610,0.00001531,-0.00001443,0.00012002,-0.00049575
 ,-0.00063280,0.00029606,-0.00000148,-0.00002881,-0.00001444,0.00000439
 ,-0.00000198,-0.00000451,0.00001663,0.00000031,0.00000484,-0.00000052,
 0.00000094,0.00000147,-0.00000213,-0.00000201,0.00000007,0.00000081,-0
 .00000220,0.00000197,0.00000787,0.00000481,-0.00000198,-0.00000059,-0.
 00000203,0.00000247,0.00000077,-0.00001255,-0.00000243,0.00000751,0.00
 000763,-0.00000136,-0.00106601,-0.00285260,-0.00127869,-0.05617786,0.0
 0233051,0.04913408,0.00000608,0.00003640,0.00008536,0.05843992,0.00031
 219,0.00001787,-0.00010017,0.00007602,-0.00002301,0.00031485,-0.000390
 41,0.00020203,-0.00016426,0.00137174,0.00073346,0.00072562,0.00006538,
 0.00005774,-0.00053727,-0.00028556,0.00000986,0.00019209,-0.00000164,-
 0.00002575,0.00004033,-0.00001242,0.00000580,-0.00000775,-0.00000071,-
 0.00000152,0.00000055,-0.00000167,0.00000048,0.00000077,0.00451326,-0.
 00277639,-0.02809889,-0.00005179,0.00095423,-0.00318691,0.00022341,-0.
 00004335,0.00169574,0.00018250,0.00067877,0.00099261,-0.00000723,-0.00
 001700,-0.00000578,0.00004243,-0.00007904,0.00009097,-0.00049727,-0.00
 017646,0.00029392,-0.00002895,0.00000942,-0.00001044,0.00000465,-0.000
 00210,-0.00000470,0.00000935,0.,-0.00000185,0.00000138,0.00000300,0.00
 000115,0.00000080,-0.00000036,-0.00000147,0.00000009,-0.00000029,0.000
 00068,-0.00000130,-0.00000078,-0.00000027,0.00000111,-0.00000121,0.000
 00087,0.00000234,-0.00000033,-0.00000227,-0.00000067,-0.00000133,-0.00
 000116,-0.00286335,-0.00427246,-0.00167448,0.00145126,-0.04625356,-0.0
 0867816,0.00003809,-0.00020625,0.00009497,0.00105874,0.04995386,0.0003
 1417,-0.00002251,-0.00002470,0.00000457,-0.00008024,0.00028184,-0.0003
 8993,0.00014325,-0.00021671,0.00120957,-0.00002721,0.00048926,0.000090
 98,0.00051323,-0.00016134,-0.00038220,0.00018153,0.00013863,-0.0000095
 3,-0.00002811,0.00003548,-0.00001472,0.00000310,-0.00001009,-0.0000011
 5,-0.00000121,0.00000079,0.00000176,0.00000498,-0.00000168,0.00160551,
 -0.00257128,-0.01377015,-0.00117020,0.00135958,-0.00213993,0.00057631,
 0.00118842,0.00161812,0.00016265,-0.00026394,0.00045378,-0.00001060,-0
 .00001886,-0.00000388,0.00002215,-0.00001607,0.00012515,0.00029149,-0.
 00010938,0.00042907,-0.00002507,0.00002126,-0.00000048,-0.00000967,0.0
 0000156,-0.00000155,0.00000937,0.00000298,0.00000104,0.00000241,0.0000
 0056,0.00000330,-0.00000160,0.00000079,0.00000137,0.00000056,-0.000001
 28,0.00000102,0.00000105,0.00000201,-0.00000075,0.00000034,-0.00000138
 ,0.00000181,-0.00000016,-0.00000535,-0.00000157,0.00000355,0.00000245,
 -0.00000114,-0.00143198,-0.00183507,0.00062612,0.04771511,-0.01197341,
 -0.30622325,0.00002118,-0.00006275,-0.00001484,-0.05184332,0.01398582,
 0.33315689,-0.00028100,0.00026018,0.00015169,0.00002127,0.00001753,-0.
 00019297,-0.00001089,-0.00037623,0.00059616,-0.00054699,-0.00268640,-0
 .00169021,0.00012627,-0.00011424,-0.00046438,0.00003455,0.00006068,-0.
 00011189,0.00001157,-0.00009865,0.00003548,-0.00001717,0.00009686,-0.0
 0002304,0.00000081,-0.00004949,0.00000174,0.00000235,-0.00001726,0.000
 01560,-0.01335755,0.00116933,0.00242712,-0.00064317,0.00085301,-0.0013
 4237,0.00091091,-0.00002047,0.00084474,0.00012575,-0.00021874,0.000198
 71,-0.00006119,0.00004076,-0.00001426,-0.00000572,-0.00006652,-0.00005
 847,0.00001324,0.00006702,0.00001054,-0.00002772,0.00001503,0.00003362
 ,-0.00004440,0.00001287,0.00000495,-0.00002700,0.00000736,-0.00000891,
 0.00000601,-0.00000094,-0.00000328,0.00000369,0.00000862,0.00000282,-0
 .00000346,0.00000646,-0.00000690,-0.00002868,-0.00001220,0.00000644,-0
 .00000079,0.00000737,-0.00000694,-0.00000323,0.00003561,0.00000832,-0.
 00001988,-0.00002292,0.00000240,0.00044307,0.00013860,-0.00046253,-0.3
 0241571,0.02158373,0.03731874,-0.00006421,-0.00008599,-0.00000750,-0.0
 0499507,0.00079637,0.00081064,0.32951593,-0.00022142,0.00036516,-0.000
 01055,-0.00009003,-0.00001868,-0.00019847,-0.00069896,0.00002248,0.000
 32383,-0.00111446,-0.00377766,-0.00253225,-0.00039592,0.00022222,-0.00
 005129,0.00013595,0.00016616,0.00006689,0.00000298,-0.00007037,0.00002
 073,-0.00001701,0.00004767,-0.00000899,-0.00000045,-0.00002622,0.00000
 201,-0.00000034,-0.00000529,0.00000639,-0.02686874,0.00064605,0.004627
 91,-0.00154269,0.00108116,-0.00045349,0.00066619,0.00002448,0.00045318
 ,0.00018734,0.00021268,0.00001823,-0.00008239,0.00004247,-0.00000390,0
 .00001179,-0.00016768,-0.00006944,0.00005707,-0.00009251,0.00008637,-0
 .00003757,-0.00001527,0.00002359,-0.00003391,0.00000919,0.00000103,-0.
 00001242,0.00000366,0.00000163,0.00000275,-0.00000300,0.00000216,0.000
 00091,0.00000381,0.00000152,-0.00000080,0.00000223,-0.00000226,-0.0000
 1375,-0.00000353,0.00000281,-0.00000025,0.00000190,-0.00000184,0.00000
 018,0.00001674,0.00000292,-0.00000859,-0.00000915,0.00000044,0.0006811
 3,0.00110072,0.00020057,0.02392666,-0.05018076,-0.00311754,-0.00007783
 ,-0.00001220,-0.00000414,0.00116678,-0.00094345,0.00019183,-0.02225237
 ,0.05246052,0.00023620,0.00017869,-0.00003882,-0.00001548,-0.00003934,
 0.00021610,-0.00045452,0.00012415,0.00007066,-0.00023988,-0.00267146,-
 0.00041378,-0.00000678,0.00013812,-0.00012762,-0.00027108,0.00035731,0
 .00002267,-0.00001041,-0.00007959,0.00004026,-0.00002288,0.00003421,-0
 .00001510,-0.00000110,-0.00001786,0.00000242,0.,-0.00000142,0.00000411
 ,-0.01476387,0.00066323,0.00096863,0.00055600,0.00054652,0.00087145,-0
 .00054540,-0.00008205,-0.00013231,0.00005201,-0.00006147,-0.00035664,-
 0.00003635,-0.00002190,-0.00001125,-0.00001734,-0.00007402,-0.00002587
 ,-0.00011219,-0.00041338,0.00022275,-0.00002752,0.00002069,0.00000808,
 -0.00002006,0.00000538,-0.00000775,-0.00000126,0.00000550,-0.00000125,
 0.00000322,-0.00000108,0.00000170,0.00000015,0.00000190,0.00000078,-0.
 00000057,0.00000107,-0.00000127,-0.00000765,-0.00000065,0.00000165,-0.
 00000241,0.00000144,-0.00000117,0.00000117,0.00000448,0.00000297,-0.00
 000141,-0.00000392,-0.00000142,-0.00001011,0.00082312,0.00038041,0.037
 76759,-0.00264152,-0.05301029,-0.00001886,0.00004624,0.00001962,0.0318
 8195,-0.00292310,-0.00304655,-0.03957062,0.00590640,0.05267192,-0.0000
 5190,0.00002651,0.00000864,-0.00001767,-0.00001558,-0.00001414,0.00017
 408,0.00010422,-0.00019636,0.00128668,-0.00051404,0.00075211,0.0000188
 0,0.00010103,0.00019664,-0.00000851,0.00005373,0.00002030,-0.00001594,
 0.00002228,-0.00001893,0.00000546,-0.00003307,0.00000824,-0.00000013,0
 .00001774,-0.00000010,0.00000119,0.00000793,-0.00000626,0.00351523,-0.
 01459181,0.00781212,-0.00222579,-0.00194918,-0.00248580,0.00072744,0.0
 0013486,0.00048812,0.00049968,-0.00116866,0.00035637,0.00002101,-0.000
 00721,0.00000713,0.00000725,-0.00003665,-0.00001018,0.00004280,-0.0000
 5848,-0.00006556,0.00000429,-0.00000466,-0.00000808,0.00001497,-0.0000
 0304,-0.00000304,0.00000751,-0.00000274,0.00000497,-0.00000181,-0.0000
 0076,0.00000207,-0.00000194,-0.00000288,-0.00000064,0.00000144,-0.0000
 0259,0.00000271,0.00001051,0.00000509,-0.00000245,-0.00000047,-0.00000
 277,0.00000279,0.00000107,-0.00001382,-0.00000274,0.00000782,0.0000090
 6,-0.00000090,0.00038109,0.00072986,0.00013121,-0.07633470,0.07481034,
 -0.03770443,0.00011558,-0.00025941,-0.00017575,0.00123509,-0.00600815,
 0.00244677,-0.00866163,0.02663018,-0.01434053,0.07924153,-0.00022817,-
 0.00004905,-0.00005585,-0.00005474,-0.00002177,-0.00016159,-0.00023701
 ,0.00033026,-0.00005562,0.00182315,0.00112616,0.00009445,-0.00047818,0
 .00030079,0.00040708,0.00015951,-0.00016706,0.00007367,0.00000115,0.00
 003996,-0.00001817,0.00000827,-0.00002667,0.00000704,0.00000118,0.0000
 1241,0.00000096,0.00000657,0.00000526,-0.00000289,0.00685566,-0.023219
 05,0.01150978,-0.00318039,-0.00080040,-0.00318079,0.00020543,-0.000033
 37,0.00003187,0.00047794,-0.00208044,0.00033440,-0.00002464,-0.0000066
 4,0.00000698,-0.00000304,-0.00006633,-0.00005335,0.00005442,0.00004063
 ,-0.00009557,-0.00001371,-0.00000821,-0.00000091,0.00000410,-0.0000003
 2,0.00000531,-0.00000173,-0.00000141,-0.00000109,-0.00000159,-0.000000
 02,-0.00000222,-0.00000186,-0.00000114,0.00000137,-0.00000050,-0.00000
 114,-0.00000054,0.00000747,0.00000349,-0.00000155,-0.00000327,0.000000
 51,-0.00000059,-0.00000260,-0.00001068,0.00000105,0.00000680,0.0000067
 4,-0.00000007,0.00045631,0.00075738,-0.00029567,0.07230989,-0.23336507
 ,0.09649690,0.00015828,-0.00024105,-0.00024060,-0.00117242,0.00219812,
 -0.00058531,0.00084505,-0.00110351,0.00017427,-0.07797732,0.25638165,-
 0.00010781,-0.00001022,-0.00000181,0.00004834,-0.00001074,-0.00012295,
 0.00026347,0.00002338,0.00016047,0.00050767,0.00019230,0.00037969,-0.0
 0007166,0.00004203,-0.00035205,0.00018165,-0.00012140,0.00014668,0.000
 00392,0.00001946,0.00000333,0.00000726,-0.00000650,-0.00000091,0.00000
 021,0.00000498,0.00000140,-0.00000167,-0.00000162,0.00000072,0.0037288
 3,-0.01404341,0.00569077,-0.00307310,-0.00123505,-0.00286190,0.0007375
 7,0.00079293,0.00130832,0.00048802,-0.00074894,0.00055365,-0.00000256,
 -0.00000191,0.00000625,0.00000792,-0.00000180,-0.00008062,-0.00006727,
 0.00005237,0.00011140,-0.00000260,0.00002357,-0.00000814,0.00001087,0.
 00000012,-0.00000557,0.00000554,-0.00000003,0.00000248,-0.00000124,-0.
 00000161,0.00000154,0.00000069,-0.00000108,-0.00000229,0.00000078,0.00
 000011,0.00000088,0.00000161,-0.00000053,-0.00000047,-0.00000047,0.000
 00011,0.00000030,0.00000123,-0.00000157,-0.00000045,0.00000002,0.00000
 005,-0.00000072,0.00061564,0.00044236,0.00057335,-0.03660044,0.0978319
 7,-0.09712069,0.00018490,-0.00032834,-0.00012648,-0.01115756,0.0269679
 8,-0.01174506,0.00149453,-0.00548624,0.00168492,0.04279569,-0.10439275
 ,0.10180397\\0.00001270,-0.00000411,-0.00000211,-0.00000383,0.00000395
 ,0.00000738,-0.00001370,0.00000258,-0.00000075,0.00002037,0.00000423,-
 0.00001101,0.00000574,-0.00000362,-0.00000417,-0.00000602,0.00000030,0
 .00000168,0.00002430,-0.00002415,0.00000398,-0.00000465,0.00000322,-0.
 00002307,0.00000259,-0.00000643,0.00000320,0.00000161,0.00000947,0.000
 01601,-0.00004044,-0.00000302,0.00000809,0.00000879,-0.00001457,0.0000
 0247,-0.00000348,0.00000141,-0.00000846,-0.00000126,0.00002005,0.00001
 158,-0.00000100,0.00000210,0.00000175,0.00000169,-0.00000254,0.0000017
 0,0.00000108,-0.00000192,0.,0.00000021,0.00000239,-0.00000284,-0.00000
 629,0.00000621,-0.00000064,-0.00000426,0.00001278,-0.00000167,0.000001
 73,-0.00000101,0.00000317,0.00000252,-0.00000034,-0.00000186,-0.000003
 42,0.00000113,0.00000196,-0.00000470,-0.00000107,-0.00000389,-0.000000
 70,-0.00000113,0.00000006,0.00000026,0.00000202,-0.00000051,-0.0000013
 1,-0.00000118,-0.00000045,0.00000967,-0.00000167,-0.00000529,-0.000008
 59,0.00000733,0.00000610,0.00000131,-0.00000461,0.00000060,0.00000308,
 -0.00000458,-0.00000033,0.00000423,-0.00000015,-0.00000164,0.00000176,
 -0.00000306,-0.00000104\\\@


 ... IT CAN BE VERY DIFFICULT, IN THESE COMPLEX TIMES,
 TO UNDERSTAND JUST HOW SCIENTISTS DO WHAT THEY DO.

                     DON MOSER IN THE FEBRUARY 1979 SMITHSONIAN
 Job cpu time:       1 days 15 hours 39 minutes  1.5 seconds.
 Elapsed time:       0 days  4 hours 57 minutes 51.1 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:27:33 2021.
